*  \\\\\\\ CHARMM36 All-Hydrogen Lipid Topology File ///////
*  All comments and questions should be submitted to the 
*  parameter forum at the CHARMM website: www.charmm.org
*
36  1

!updated 2016/8. see toppar_all.history.

!NOTE: Reordering of atoms in the choline region of the PC lipids as
!requried for the domain decomposition code in CHARMM.  This will not
!change the energies/forces, but PSFs generated with the previous
!lipid toppar files may not work.  To overcome this a toppar stream
!file, toppar_all36_lipid_orig_pc_atom_order.str, has been created
!which contains the original atom ordering. August 2012
!

!references
!
!Jeffery B. Klauda, Richard M. Venable, J. Alfredo Freites, Joseph
!W. O'Connor, Douglas J. Tobias, Carlos Mondragon-Ramirez, Igor
!Vorobyov, Alexander D. MacKerell, Jr. and Richard W. Pastor "Update of
!the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six
!Lipid Types" J. Phys. Chem. B 2010, 114, 7830-7843
!
! PUFA Modifications
!Jeffery B. Klauda, Viviana Monje, Taehoon Kim, and Wonpil Im. "Improving
!the CHARMM Force Field for Polyunsaturated Fatty Acid Chains" J. Phys. Chem. B.
!2012 ASAP http://dx.doi.org/10.1021/jp304056p
  
!Atom nomenclature is based on that of Sundaralingan, M.,
!Ann. N.Y. Acad. Sci. USA, 195:324-355, 1972
!see lipid_convert.tgz for information on nomenclature conversion
!Renaming of atom types by Rick Venable due to switching to the
!nomenclature of Sundaralingan, M., Ann. N.Y. Acad. Sci. USA,
!195:324-355, 1972
!
!1) toppar_all36_lipid_oldxopc.str
!2) convert_lipid_c27_c36_xopc.str
!
!The above stream files have 1) the old definitions of DOPC
!and POPC, which replace the new definitions when used.  The second
!stream file does a RENAME conversion, which allows old coord sets to
!be updated to the new "all36_lipid" convention.

MASS  -1  HL         1.00800 H ! polar H (equivalent to protein H)
MASS  -1  HCL        1.00800 H ! charged H for PE (equivalent to protein HC)
MASS  -1  HOL        1.00800 H ! Nucleic acid phosphate hydroxyl proton
MASS  -1  HAL1       1.00800 H ! alphatic proton
MASS  -1  HAL2       1.00800 H ! alphatic proton
MASS  -1  HAL3       1.00800 H ! alphatic proton
MASS  -1  HEL1       1.00800 H ! for alkene; RHC=CR
MASS  -1  HEL2       1.00800 H ! for alkene; H2C=CR. Currently unused.
MASS  -1  HBL        1.00800 H ! POPS SER backbone H
MASS  -1  CL        12.01100 C ! carbonyl C (acetic acid/methyl acetate)
MASS  -1  CTL1      12.01100 C ! sp3 carbon with 1 H  (-CH1-)
MASS  -1  CTL2      12.01100 C ! carbon of methylene group (-CH2-)
MASS  -1  CTL3      12.01100 C ! carbon of methyl group (-CH3)
MASS  -1  CTL5      12.01100 C ! carbon of methyl group (-CH3) for tetramethylammonium
MASS  -1  CEL1      12.01100 C ! for alkene; RHC=CR
MASS  -1  CEL2      12.01100 C ! for alkene; H2C=CR. Currently unused.
MASS  -1  CCL       12.01100 C ! for POPS
MASS  -1  NTL       14.00700 N ! ammonium nitrogen
MASS  -1  NH3L      14.00700 N ! nitrogen phosphatidylethanolamine
MASS  -1  OBL       15.99940 O ! acetic acid carboxyl oxygen (e. to protein OB)
MASS  -1  OCL       15.99940 O ! acetate oxygen
MASS  -1  OSL       15.99940 O ! ester oxygen
MASS  -1  O2L       15.99940 O ! Nucleic acid =O in phosphate or sulfate
MASS  -1  OHL       15.99940 O ! Nucleic acid phosphate hydroxyl oxygen
MASS  -1  OSLP      15.99940 O ! Phosphate oxygen, to avoid conflict with methylacetate type O
MASS  -1  PL        30.97400 P ! phosphorus
MASS  -1  SL        32.06000 S ! Sulfate sulfur
MASS  -1  CRL1      12.01100 C ! sp3 carbon with 1 H on a ring  (-CH1-) for sterols
MASS  -1  CRL2      12.01100 C ! carbon of methylene group on a ring (-CH2-) for sterols
 
DEFA FIRS none LAST none
AUTOGENERATE ANGLES DIHEDRALS PATCH

RESI LPPC        0.00 ! deoxylysophosphatidylcholine 
! Polar Head and glycerol backbone
GROUP                 !          H15B
ATOM N    NTL   -0.60 !            |
ATOM C13  CTL5  -0.35 !      H15A-C15-H15C
ATOM H13A HL     0.25 !            | 
ATOM H13B HL     0.25 !    H13B    |    H14A
ATOM H13C HL     0.25 !      |     |     |
ATOM C14  CTL5  -0.35 !H13A-C13----N----C14-H14B     (+)
ATOM H14A HL     0.25 !      |     |     |
ATOM H14B HL     0.25 !    H13C    |    H14C
ATOM H14C HL     0.25 !            |
ATOM C15  CTL5  -0.35 !            |
ATOM H15A HL     0.25 !            |    alpha6
ATOM H15B HL     0.25 !            |  
ATOM H15C HL     0.25 !            |
ATOM C12  CTL2  -0.10 !     H12A--C12---H12B     
ATOM H12A HL     0.25 !            |
ATOM H12B HL     0.25 !            |    
GROUP                 !                  alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O11  OSLP  -0.57 !         / \      alpha2
ATOM O12  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL2  -0.18 !       HR---C2----HS
ATOM HS   HAL2   0.09 !            | 
ATOM HR   HAL2   0.09 !            | 
GROUP                 !            |
ATOM C3   CTL2   0.08 !       HX---C3---HY 
ATOM HX   HAL2   0.09 !            |
ATOM HY   HAL2   0.09 !            |   gamma1
ATOM O31  OSL   -0.49 !      O32  O31
ATOM C31  CL     0.90 !       \\ /    gamma2
ATOM O32  OBL   -0.63 !        C31
ATOM C32  CTL2  -0.22 !         |     gamma3
ATOM H2X  HAL2   0.09 !  H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !         |
GROUP                 !
ATOM C33  CTL2  -0.18 !         |
ATOM H3X  HAL2   0.09 !  H3X---C33---H3Y 
ATOM H3Y  HAL2   0.09 !         |
GROUP                 !
ATOM C34  CTL2  -0.18 !         |
ATOM H4X  HAL2   0.09 !  H4X---C34---H4Y
ATOM H4Y  HAL2   0.09 !         |
GROUP                 !
ATOM C35  CTL2  -0.18 !         |
ATOM H5X  HAL2   0.09 !  H5X---C35---H5Y
ATOM H5Y  HAL2   0.09 !         |
GROUP                 !
ATOM C36  CTL2  -0.18 !         |
ATOM H6X  HAL2   0.09 !  H6X---C36---H6Y
ATOM H6Y  HAL2   0.09 !         |
GROUP                 !
ATOM C37  CTL2  -0.18 !         |
ATOM H7X  HAL2   0.09 !  H7X---C37---H7Y
ATOM H7Y  HAL2   0.09 !         |
GROUP                 !
ATOM C38  CTL2  -0.18 !         |
ATOM H8X  HAL2   0.09 !  H8X---C38---H8Y
ATOM H8Y  HAL2   0.09 !         |
GROUP                 !
ATOM C39  CTL2  -0.18 !         |
ATOM H9X  HAL2   0.09 !  H9X---C39---H9Y 
ATOM H9Y  HAL2   0.09 !         |
GROUP                 !
ATOM C310 CTL2  -0.18 !         |
ATOM H10X HAL2   0.09 ! H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !         |
GROUP                 !
ATOM C311 CTL2  -0.18 !         |
ATOM H11X HAL2   0.09 ! H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !         |
GROUP                 !
ATOM C312 CTL3  -0.27 !         |
ATOM H12X HAL3   0.09 ! H12X---C312--H12Y
ATOM H12Y HAL3   0.09 !         |
ATOM H12Z HAL3   0.09 !        H12Z
                      !
! Polar Head
BOND  N    C13       N    C14       N    C15       
BOND  C13  H13A      C13  H13B      C13  H13C 
BOND  C14  H14A      C14  H14B      C14  H14C 
BOND  C15  H15A      C15  H15B      C15  H15C 
BOND  N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12   
BOND  O12  P         P    O11       P    O13       P    O14 
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        C1   O11       
BOND  C2   HS        C2    HR       C2   C3
BOND  C3   HX        C3    HY       C3   O31

! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33 
BOND  C33  H3X       C33  H3Y       C33  C34 
BOND  C34  H4X       C34  H4Y       C34  C35 
BOND  C35  H5X       C35  H5Y       C35  C36 
BOND  C36  H6X       C36  H6Y       C36  C37 
BOND  C37  H7X       C37  H7Y       C37  C38 
BOND  C38  H8X       C38  H8Y       C38  C39 
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 H12Z

IMPR C31 O31 C32 O32 

!IC table from IC generated, minimized geometry
IC C13    N      C12    C11        1.5007  109.16   60.77  118.01   1.5532
IC C13    C12    *N     C14        1.5007  109.16  118.95  109.93   1.4962
IC C13    C12    *N     C15        1.5007  109.16 -118.66  109.79   1.4970
IC C12    N      C13    H13A       1.5283  109.16 -176.25  113.90   1.0739
IC H13A   N      *C13   H13B       1.0739  113.90 -125.02  111.72   1.0902
IC H13A   N      *C13   H13C       1.0739  113.90  122.64  109.30   1.0955
IC C12    N      C14    H14A       1.5283  109.93  -59.08  109.81   1.0869
IC H14A   N      *C14   H14B       1.0869  109.81 -118.79  110.87   1.0821
IC H14A   N      *C14   H14C       1.0869  109.81  119.79  111.30   1.0813
IC C12    N      C15    H15A       1.5283  109.79  177.61  111.54   1.0806
IC H15A   N      *C15   H15B       1.0806  111.54 -118.99  108.75   1.0881
IC H15A   N      *C15   H15C       1.0806  111.54  122.56  111.42   1.0805
IC C13    N      C12    C11        1.5007  109.16   60.77  118.01   1.5532
IC C11    N      *C12   H12A       1.5532  118.01 -118.57  109.22   1.0958
IC H12A   N      *C12   H12B       1.0958  109.22 -116.61  110.32   1.0792
IC N      C12    C11    O12        1.5283  118.01  -64.38  111.82   1.4242
IC O12    C12    *C11   H11A       1.4242  111.82 -122.02  109.25   1.1168
IC H11A   C12    *C11   H11B       1.1168  109.25 -116.56  110.01   1.1107
IC C12    C11    O12    P          1.5532  111.82  -63.93  119.44   1.5956
IC C11    O12    P      O11        1.4242  119.44 -108.05  103.40   1.5764
IC O11    O12    *P     O13        1.5764  103.40 -117.37  105.77   1.4773
IC O11    O12    *P     O14        1.5764  103.40  117.10  108.18   1.4806
IC O12    P      O11    C1         1.5956  103.40  -60.59  122.33   1.4218
IC P      O11    C1     C2         1.5764  122.33  128.18  108.48   1.5345
IC C2     O11    *C1    HA         1.5345  108.48 -121.51  113.56   1.1178
IC HA     O11    *C1    HB         1.1178  113.56 -119.54  108.81   1.1133
IC O11    C1     C2     C3         1.4218  108.48  -69.15  113.12   1.5322
IC C3     C1     *C2    HS         1.5322  113.12 -121.29  109.24   1.1115
IC HS     C1     *C2    HR         1.1115  109.24 -117.52  108.27   1.1121
IC C1     C2     C3     O31        1.5345  113.12  -65.92  107.84   1.4362
IC O31    C2     *C3    HX         1.4362  107.84 -120.29  109.69   1.1138
IC HX     C2     *C3    HY         1.1138  109.69 -118.31  108.07   1.1170
IC C2     C3     O31    C31        1.5322  107.84  166.14  114.22   1.3189
IC C3     O31    C31    C32        1.4362  114.22 -174.70  108.67   1.5288
IC C32    O31    *C31   O32        1.5288  108.67 -179.80  126.24   1.2203
IC O31    C31    C32    C33        1.3189  108.67 -167.94  112.47   1.5443
IC C33    C31    *C32   H2X        1.5443  112.47 -121.71  107.41   1.1092
IC H2X    C31    *C32   H2Y        1.1092  107.41 -116.85  107.91   1.1098
IC C31    C32    C33    C34        1.5288  112.47  179.46  112.33   1.5340
IC C34    C32    *C33   H3X        1.5340  112.33 -120.43  109.16   1.1152
IC H3X    C32    *C33   H3Y        1.1152  109.16 -117.67  110.02   1.1133
IC C32    C33    C34    C35        1.5443  112.33 -176.69  112.31   1.5344
IC C35    C33    *C34   H4X        1.5344  112.31 -122.05  109.68   1.1126
IC H4X    C33    *C34   H4Y        1.1126  109.68 -117.48  108.87   1.1140
IC C33    C34    C35    C36        1.5340  112.31  175.27  112.83   1.5344
IC C36    C34    *C35   H5X        1.5344  112.83 -120.53  108.69   1.1140
IC H5X    C34    *C35   H5Y        1.1140  108.69 -117.22  109.46   1.1123
IC C34    C35    C36    C37        1.5344  112.83 -177.21  112.46   1.5347
IC C37    C35    *C36   H6X        1.5347  112.46 -121.92  109.58   1.1126
IC H6X    C35    *C36   H6Y        1.1126  109.58 -117.43  108.81   1.1138
IC C35    C36    C37    C38        1.5344  112.46  176.32  112.59   1.5343
IC C38    C36    *C37   H7X        1.5343  112.59 -120.81  108.90   1.1137
IC H7X    C36    *C37   H7Y        1.1137  108.90 -117.41  109.31   1.1128
IC C36    C37    C38    C39        1.5347  112.59 -178.70  112.72   1.5347
IC C39    C37    *C38   H8X        1.5347  112.72 -121.68  109.25   1.1130
IC H8X    C37    *C38   H8Y        1.1130  109.25 -117.35  108.93   1.1136
IC C37    C38    C39    C310       1.5343  112.72  179.00  112.44   1.5346
IC C310   C38    *C39   H9X        1.5346  112.44 -121.08  109.08   1.1133
IC H9X    C38    *C39   H9Y        1.1133  109.08 -117.47  109.24   1.1129
IC C38    C39    C310   C311       1.5347  112.44 -179.02  112.83   1.5338
IC C311   C39    *C310  H10X       1.5338  112.83 -121.47  109.09   1.1131
IC H10X   C39    *C310  H10Y       1.1131  109.09 -117.30  109.04   1.1134
IC C39    C310   C311   C312       1.5346  112.83 -179.46  113.19   1.5308
IC C312   C310   *C311  H11X       1.5308  113.19 -121.59  108.75   1.1142
IC H11X   C310   *C311  H11Y       1.1142  108.75 -116.77  108.84   1.1140
IC C310   C311   C312   H12X       1.5338  113.19   60.40  110.44   1.1113
IC H12X   C311   *C312  H12Y       1.1113  110.44 -119.80  110.43   1.1114
IC H12X   C311   *C312  H12Z       1.1113  110.44  120.09  110.66   1.1113

RESI DLPC         0.00 ! 2,3 dilauroyl-D-glycero-1-Phosphatidylcholine
!
!  R1 - CH2
!       |          (angles and atom names from Sundaralingam)
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH2 - N(CH3)3
!
! Polar Head and glycerol backbone
GROUP                 !          H15B
ATOM N    NTL   -0.60 !            |
ATOM C13  CTL5  -0.35 !      H15A-C15-H15C
ATOM H13A HL     0.25 !            |
ATOM H13B HL     0.25 !    H13B    |    H14A
ATOM H13C HL     0.25 !      |     |     |
ATOM C14  CTL5  -0.35 !H13A-C13----N----C14-H14B     (+)
ATOM H14A HL     0.25 !      |     |     |
ATOM H14B HL     0.25 !    H13C    |    H14C
ATOM H14C HL     0.25 !            |
ATOM C15  CTL5  -0.35 !            |
ATOM H15A HL     0.25 !            |    alpha6
ATOM H15B HL     0.25 !            |
ATOM H15C HL     0.25 !            |
ATOM C12  CTL2  -0.10 !     H12A--C12---H12B
ATOM H12A HL     0.25 !            |
ATOM H12B HL     0.25 !            |
GROUP                 !                  alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O11  OSLP  -0.57 !         / \      alpha2
ATOM O12  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2- - - - - - -
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !              beta4
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !                      HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !                      O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !                         C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !                  H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !                               gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL3  -0.27 !          |
ATOM H12R HAL3   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL3   0.09 !          |
ATOM H12T HAL3   0.09 !         H12T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL3  -0.27 !                         |
ATOM H12X HAL3   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL3   0.09 !                         |
ATOM H12Z HAL3   0.09 !                         H12Z

! Polar Head
BOND  N    C13       N    C14       N    C15
BOND  C13  H13A      C13  H13B      C13  H13C
BOND  C14  H14A      C14  H14B      C14  H14C
BOND  C15  H15A      C15  H15B      C15  H15C
BOND  N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        C1   O11
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 H12T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 H12Z

IMPR C21 O21 C22 O22   C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC C13   N     C12   C11    1.4966  111.24  166.28  118.98   1.5540
IC C13   C12   *N    C14    1.4966  111.24 -121.31  109.70   1.5014
IC C13   C12   *N    C15    1.4966  111.24  120.39  109.59   1.5032
IC C12   N     C13   H13A   1.5282  111.24  -61.73  111.02   1.0824
IC H13A  N     *C13  H13B   1.0824  111.02 -119.31  110.03   1.0843
IC H13A  N     *C13  H13C   1.0824  111.02  121.33  110.99   1.0825
IC C12   N     C14   H14A   1.5282  109.70 -175.08  112.24   1.0791
IC H14A  N     *C14  H14B   1.0791  112.24 -124.93  112.61   1.0781
IC H14A  N     *C14  H14C   1.0791  112.24  117.38  109.50   1.0986
IC C12   N     C15   H15A   1.5282  109.59  -61.54  112.73   1.0781
IC H15A  N     *C15  H15B   1.0781  112.73 -124.99  112.40   1.0795
IC H15A  N     *C15  H15C   1.0781  112.73  117.76  109.79   1.0975
IC C11   N     *C12  H12A   1.5540  118.98 -122.28  108.97   1.0812
IC H12A  N     *C12  H12B   1.0812  108.97 -117.10  108.29   1.0835
IC N     C12   C11   O12    1.5282  118.98   60.04  111.29   1.4211
IC O12   C12   *C11  H11A   1.4211  111.29 -126.93  110.16   1.1157
IC H11A  C12   *C11  H11B   1.1157  110.16 -114.93  108.04   1.1136
IC C12   C11   O12   P      1.5540  111.29 -112.41  123.03   1.5867
IC C11   O12   P     O11    1.4211  123.03 -112.11  102.86   1.5750
IC O11   O12   *P    O13    1.5750  102.86 -117.06  105.38   1.4772
IC O11   O12   *P    O14    1.5750  102.86  117.53  108.43   1.4796
IC O12   P     O11   C1     1.5867  102.86  -56.61  121.12   1.4309
IC P     O11   C1    C2     1.5750  121.12  -83.15  112.71   1.5564
IC C2    O11   *C1   HA     1.5564  112.71 -117.95  107.87   1.1127
IC HA    O11   *C1   HB     1.1127  107.87 -117.85  112.30   1.1145
IC O11   C1    C2    C3     1.4309  112.71 -172.05  111.41   1.5541
IC C3    C1    *C2   O21    1.5541  111.41  122.05  108.04   1.4389
IC C3    C1    *C2   HS     1.5541  111.41 -118.42  106.92   1.1167
IC C1    C2    O21   C21    1.5564  108.04  158.54  115.01   1.3183
IC C2    O21   C21   C22    1.4389  115.01 -173.62  109.25   1.5301
IC C22   O21   *C21  O22    1.5301  109.25 -179.40  126.05   1.2181
IC O21   C21   C22   C23    1.3183  109.25 -117.90  111.70   1.5446
IC C23   C21   *C22  H2R    1.5446  111.70 -120.98  107.48   1.1089
IC H2R   C21   *C22  H2S    1.1089  107.48 -117.26  108.89   1.1098
IC C1    C2    C3    O31    1.5564  111.41  -53.99  110.37   1.4448
IC O31   C2    *C3   HX     1.4448  110.37 -121.24  109.56   1.1120
IC HX    C2    *C3   HY     1.1120  109.56 -116.88  106.08   1.1171
IC C2    C3    O31   C31    1.5541  110.37  157.10  114.49   1.3276
IC C3    O31   C31   C32    1.4448  114.49 -179.05  109.34   1.5276
IC C32   O31   *C31  O32    1.5276  109.34  178.85  125.77   1.2163
IC O31   C31   C32   C33    1.3276  109.34  -71.25  112.33   1.5453
IC C33   C31   *C32  H2X    1.5453  112.33 -121.91  107.83   1.1087
IC H2X   C31   *C32  H2Y    1.1087  107.83 -117.09  107.48   1.1098
IC C21   C22   C23   C24    1.5301  111.70  174.22  112.39   1.5364
IC C24   C22   *C23  H3R    1.5364  112.39 -120.52  108.74   1.1143
IC H3R   C22   *C23  H3S    1.1143  108.74 -117.72  109.66   1.1144
IC C22   C23   C24   C25    1.5446  112.39  176.17  113.71   1.5389
IC C25   C23   *C24  H4R    1.5389  113.71 -121.29  108.85   1.1139
IC H4R   C23   *C24  H4S    1.1139  108.85 -117.02  108.83   1.1137
IC C23   C24   C25   C26    1.5364  113.71   58.19  113.57   1.5361
IC C26   C24   *C25  H5R    1.5361  113.57 -121.29  108.91   1.1134
IC H5R   C24   *C25  H5S    1.1134  108.91 -117.11  108.87   1.1132
IC C24   C25   C26   C27    1.5389  113.57  178.62  113.16   1.5366
IC C27   C25   *C26  H6R    1.5366  113.16 -122.19  109.43   1.1127
IC H6R   C25   *C26  H6S    1.1127  109.43 -117.10  108.68   1.1096
IC C25   C26   C27   C28    1.5361  113.16  174.50  113.47   1.5400
IC C28   C26   *C27  H7R    1.5400  113.47 -122.95  110.10   1.1120
IC H7R   C26   *C27  H7S    1.1120  110.10 -116.75  107.49   1.1142
IC C26   C27   C28   C29    1.5366  113.47  -95.83  114.71   1.5424
IC C29   C27   *C28  H8R    1.5424  114.71 -118.57  107.61   1.1152
IC H8R   C27   *C28  H8S    1.1152  107.61 -116.24  109.93   1.1111
IC C27   C28   C29   C210   1.5400  114.71   63.13  115.93   1.5407
IC C210  C28   *C29  H9R    1.5407  115.93 -121.53  108.05   1.1138
IC H9R   C28   *C29  H9S    1.1138  108.05 -115.66  108.55   1.1127
IC C28   C29   C210  C211   1.5424  115.93   62.76  115.20   1.5388
IC C211  C29   *C21  H10R   6.0255   16.54  100.54   10.30   5.9276
IC H10R  C29   *C21  H10S   5.9276   10.30  -42.25   16.19   7.2059
IC C29   C210  C211  C212   1.5407  115.20   64.60  114.34   1.5319
IC C212  C210  *C21  H11R   7.2454   20.82  -38.90   18.34   5.6305
IC H11R  C210  *C21  H11S   5.6305   18.34   64.37   16.79   5.3167
IC C210  C211  C212  H12R   1.5388  114.34  -64.54  110.77   1.1107
IC H12R  C211  *C21  H12S   7.9945    7.88   89.82   10.46   7.8159
IC H12R  C211  *C21  H12T   7.9945    7.88   40.24   16.78   7.0865
IC C31   C32   C33   C34    1.5276  112.33  -71.63  112.59   1.5348
IC C34   C32   *C33  H3X    1.5348  112.59 -119.64  108.68   1.1142
IC H3X   C32   *C33  H3Y    1.1142  108.68 -117.31  110.23   1.1138
IC C32   C33   C34   C35    1.5453  112.59  178.52  112.65   1.5353
IC C35   C33   *C34  H4X    1.5353  112.65 -120.91  109.18   1.1129
IC H4X   C33   *C34  H4Y    1.1129  109.18 -117.55  109.26   1.1133
IC C33   C34   C35   C36    1.5348  112.65  173.82  114.44   1.5403
IC C36   C34   *C35  H5X    1.5403  114.44 -121.24  108.76   1.1138
IC H5X   C34   *C35  H5Y    1.1138  108.76 -116.91  108.64   1.1138
IC C34   C35   C36   C37    1.5353  114.44   58.04  114.79   1.5396
IC C37   C35   *C36  H6X    1.5396  114.79 -123.72  109.93   1.1120
IC H6X   C35   *C36  H6Y    1.1120  109.93 -116.21  107.23   1.1147
IC C35   C36   C37   C38    1.5403  114.79  -96.72  113.37   1.5384
IC C38   C36   *C37  H7X    1.5384  113.37  124.26  109.66   1.1114
IC H7X   C36   *C37  H7Y    1.1114  109.66  116.90  108.33   1.1150
IC C36   C37   C38   C39    1.5396  113.37 -176.98  113.66   1.5393
IC C39   C37   *C38  H8X    1.5393  113.66 -123.13  110.21   1.1107
IC H8X   C37   *C38  H8Y    1.1107  110.21 -116.72  108.12   1.1141
IC C37   C38   C39   C310   1.5384  113.66  -67.32  114.98   1.5412
IC C310  C38   *C39  H9X    1.5412  114.98  121.99  108.65   1.1131
IC H9X   C38   *C39  H9Y    1.1131  108.65  116.07  108.54   1.1129
IC C38   C39   C310  C311   1.5393  114.98  -59.10  115.15   1.5391
IC C311  C39   *C31  H10X   4.3520   21.08  -62.16   20.70   5.5478
IC H10X  C39   *C31  H10Y   5.5478   20.70   44.35   19.66   6.4331
IC C39   C310  C311  C312   1.5412  115.15  -56.76  114.89   1.5327
IC C312  C310  *C31  H11X   4.8312   27.76   25.46    5.09   3.4146
IC H11X  C310  *C31  H11Y   3.4146    5.09  -91.07   21.38   4.4060
IC C310  C311  C312  H12X   1.5391  114.89  -57.58  110.52   1.1109
IC H12X  C311  *C31  H12Y   5.8485   18.17   43.95   25.29   5.0871
IC H12X  C311  *C31  H12Z   5.8485   18.17    0.07   29.12   4.3175

RESI DLPE         0.00 ! 2,3 dilauroyl-D-glycero-1-Phosphatidylethanolamine
!
!  R1 - CH2
!       |          (angles and atom names from Sundaralingam)
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH2 - NH3
!
! Polar Head and glycerol backbone
GROUP                 ! 
ATOM N    NH3L  -0.30 !           HN2
ATOM HN1  HCL    0.33 !            |
ATOM HN2  HCL    0.33 !  (+) HN1---N---HN3
ATOM HN3  HCL    0.33 !            |
ATOM C12  CTL2   0.13 !            |
ATOM H12A HAL2   0.09 !     H12A--C12---H12B
ATOM H12B HAL2   0.09 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O11  OSLP  -0.57 !         / \      alpha2
ATOM O12  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2- - - - - - -
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !              beta4
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !                      HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !                      O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !                         C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !                  H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !                               gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL3  -0.27 !          |
ATOM H12R HAL3   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL3   0.09 !          |
ATOM H12T HAL3   0.09 !         H12T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL3  -0.27 !                         |
ATOM H12X HAL3   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL3   0.09 !                         |
ATOM H12Z HAL3   0.09 !                         H12Z

! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        C1   O11
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 H12T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 H12Z

IMPR C21 O21 C22 O22   C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC  N      C12    C11    O12        1.5081  111.59  -73.10  113.26   1.4276
IC  C11    N      *C12   H12A       1.5457  111.59 -120.62  107.97   1.1100
IC  HN1    C12    *N     HN2        1.0538  110.27 -125.06  113.96   1.0325
IC  HN1    C12    *N     HN3        1.0538  110.27  115.83  105.31   1.0629
IC  HN1    N      C12    C11        1.0538  110.27  -58.43  111.59   1.5457
IC  H12A   N      *C12   H12B       1.1100  107.97 -118.48  107.57   1.1089
IC  O12    C12    *C11   H11A       1.4276  113.26 -118.43  107.57   1.1140
IC  H11A   C12    *C11   H11B       1.1140  107.57 -115.51  110.35   1.1121
IC  C12    C11    O12    P          1.5457  113.26   73.21  123.11   1.5821
IC  C11    O12    P      O11        1.4276  123.11   34.25  100.92   1.5725
IC  O11    O12    *P     O13        1.5725  100.92  118.29  112.02   1.4695
IC  O11    O12    *P     O14        1.5725  100.92 -108.59  105.98   1.4820
IC  O12    P      O11    C1         1.5821  100.92   93.08  123.05   1.4250
IC  P      O11    C1     C2         1.5725  123.05 -158.55  108.93   1.5522
IC  C2     O11    *C1    HA         1.5522  108.93 -118.72  109.36   1.1135
IC  HA     O11    *C1    HB         1.1135  109.36 -119.33  112.35   1.1156
IC  O11    C1     C2     C3         1.4250  108.93  -50.37  110.31   1.5644
IC  C3     C1     *C2    O21        1.5644  110.31  122.15  109.56   1.4463 !defines S chirality
IC  C3     C1     *C2    HS         1.5644  110.31 -116.40  109.18   1.1165 !defines S chirality
IC  C1     C2     O21    C21        1.5522  109.56   79.76  113.36   1.3301
IC  C2     O21    C21    C22        1.4463  113.36 -171.78  109.82   1.5286
IC  C22    O21    *C21   O22        1.5286  109.82  179.59  125.69   1.2157
IC  O21    C21    C22    C23        1.3301  109.82  -96.56  112.64   1.5461
IC  C23    C21    *C22   H2R        1.5461  112.64 -119.55  106.22   1.1113
IC  H2R    C21    *C22   H2S        1.1113  106.22 -116.80  109.41   1.1071
IC  C1     C2     C3     O31        1.5522  110.31  153.88  112.56   1.4435
IC  O31    C2     *C3    HX         1.4435  112.56 -125.97  110.32   1.1120
IC  HX     C2     *C3    HY         1.1120  110.32 -114.28  106.98   1.1128
IC  C2     C3     O31    C31        1.5644  112.56  -90.79  115.60   1.3262
IC  C3     O31    C31    C32        1.4435  115.60  169.19  109.07   1.5269
IC  C32    O31    *C31   O32        1.5269  109.07 -178.13  126.32   1.2224
IC  O31    C31    C32    C33        1.3262  109.07  105.25  113.97   1.5441
IC  C33    C31    *C32   H2X        1.5441  113.97 -122.05  108.45   1.1103
IC  H2X    C31    *C32   H2Y        1.1103  108.45 -116.70  107.29   1.1094
IC  C21    C22    C23    C24        1.5286  112.64   72.21  112.51   1.5338
IC  C24    C22    *C23   H3R        1.5338  112.51 -123.50  110.52   1.1136
IC  H3R    C22    *C23   H3S        1.1136  110.52 -117.13  108.24   1.1150
IC  C22    C23    C24    C25        1.5461  112.51  173.89  113.24   1.5353
IC  C25    C23    *C24   H4R        1.5353  113.24 -120.86  108.78   1.1132
IC  H4R    C23    *C24   H4S        1.1132  108.78 -117.56  109.21   1.1134
IC  C23    C24    C25    C26        1.5338  113.24 -179.11  112.15   1.5349
IC  C26    C24    *C25   H5R        1.5349  112.15 -121.41  109.36   1.1133
IC  H5R    C24    *C25   H5S        1.1133  109.36 -117.59  109.16   1.1133
IC  C24    C25    C26    C27        1.5353  112.15  177.84  113.48   1.5342
IC  C27    C25    *C26   H6R        1.5342  113.48 -121.24  108.98   1.1132
IC  H6R    C25    *C26   H6S        1.1132  108.98 -117.52  109.02   1.1130
IC  C25    C26    C27    C28        1.5349  113.48 -179.41  112.03   1.5353
IC  C28    C26    *C27   H7R        1.5353  112.03 -121.20  109.25   1.1132
IC  H7R    C26    *C27   H7S        1.1132  109.25 -117.63  109.28   1.1130
IC  C26    C27    C28    C29        1.5342  112.03 -179.77  113.13   1.5342
IC  C29    C27    *C28   H8R        1.5342  113.13 -121.43  109.07   1.1131
IC  H8R    C27    *C28   H8S        1.1131  109.07 -117.27  109.04   1.1132
IC  C27    C28    C29    C210       1.5353  113.13 -179.80  112.43   1.5353
IC  C210   C28    *C29   H9R        1.5353  112.43 -121.20  109.12   1.1132
IC  H9R    C28    *C29   H9S        1.1132  109.12 -117.50  109.24   1.1131
IC  C28    C29    C210   C211       1.5342  112.43 -179.68  112.77   1.5338
IC  C211   C29    *C210  H10R       1.5338  112.77 -121.35  109.16   1.1131
IC  H10R   C29    *C210  H10S       1.1131  109.16 -117.35  109.14   1.1132
IC  C29    C210   C211   C212       1.5353  112.77 -179.85  113.38   1.5309
IC  C212   C210   *C211  H11R       1.5309  113.38 -121.68  108.78   1.1141
IC  H11R   C210   *C211  H11S       1.1141  108.78 -116.64  108.78   1.1140
IC  C210   C211   C212   H12R       1.5338  113.38   60.06  110.50   1.1112
IC  H12R   C211   *C212  H12S       1.1112  110.50 -119.88  110.53   1.1113
IC  H12R   C211   *C212  H12T       1.1112  110.50  120.06  110.61   1.1113
IC  C31    C32    C33    C34        1.5269  113.97 -176.87  110.60   1.5345
IC  C34    C32    *C33   H3X        1.5345  110.60 -121.15  110.42   1.1131
IC  H3X    C32    *C33   H3Y        1.1131  110.42 -119.02  109.90   1.1145
IC  C32    C33    C34    C35        1.5441  110.60  178.15  113.68   1.5334
IC  C35    C33    *C34   H4X        1.5334  113.68 -121.01  108.74   1.1141
IC  H4X    C33    *C34   H4Y        1.1141  108.74 -116.97  109.36   1.1132
IC  C33    C34    C35    C36        1.5345  113.68 -177.06  111.90   1.5350
IC  C36    C34    *C35   H5X        1.5350  111.90 -121.43  109.53   1.1127
IC  H5X    C34    *C35   H5Y        1.1127  109.53 -117.89  109.27   1.1134
IC  C34    C35    C36    C37        1.5334  111.90  179.23  112.99   1.5340
IC  C37    C35    *C36   H6X        1.5340  112.99 -121.08  108.94   1.1138
IC  H6X    C35    *C36   H6Y        1.1138  108.94 -117.23  109.34   1.1132
IC  C35    C36    C37    C38        1.5350  112.99 -177.88  112.25   1.5344
IC  C38    C36    *C37   H7X        1.5344  112.25 -121.43  109.33   1.1129
IC  H7X    C36    *C37   H7Y        1.1129  109.33 -117.59  109.16   1.1132
IC  C36    C37    C38    C39        1.5340  112.25  179.64  112.89   1.5342
IC  C39    C37    *C38   H8X        1.5342  112.89 -121.23  109.02   1.1134
IC  H8X    C37    *C38   H8Y        1.1134  109.02 -117.22  109.17   1.1131
IC  C37    C38    C39    C310       1.5344  112.89 -179.25  112.43   1.5347
IC  C310   C38    *C39   H9X        1.5347  112.43 -121.34  109.21   1.1130
IC  H9X    C38    *C39   H9Y        1.1130  109.21 -117.49  109.18   1.1132
IC  C38    C39    C310   C311       1.5342  112.43 -179.94  112.73   1.5336
IC  C311   C39    *C310  H10X       1.5336  112.73 -121.36  109.09   1.1132
IC  H10X   C39    *C310  H10Y       1.1132  109.09 -117.30  109.12   1.1130
IC  C39    C310   C311   C312       1.5347  112.73 -179.76  113.35   1.5310
IC  C312   C310   *C311  H11X       1.5310  113.35 -121.66  108.73   1.1141
IC  H11X   C310   *C311  H11Y       1.1141  108.73 -116.65  108.75   1.1141
IC  C310   C311   C312   H12X       1.5336  113.35   60.17  110.49   1.1114
IC  H12X   C311   *C312  H12Y       1.1114  110.49 -119.95  110.51   1.1114
IC  H12X   C311   *C312  H12Z       1.1114  110.49  120.02  110.54   1.1114

RESI DLPS        -1.00 ! 2,3 dilauroyl-D-glycero-1-Phosphatidylserine
!
!  R1 - CH2        
!       |                 (-)
!  R2 - CH                CO2
!       |     (-)         |    (+)
!       CH2 - PO4 - CH2 - CH - NH3
!
! Polar Head and glycerol backbone
GROUP                  !
ATOM N    NH3L  -0.30 !           HN2
ATOM HN1  HCL    0.33 !            |
ATOM HN2  HCL    0.33 !            |
ATOM HN3  HCL    0.33 !            |
ATOM C12  CTL1   0.21 !  (+) HN1---N---HN3
ATOM H12A HBL    0.10 !            |
GROUP                 !            |     O13A (-)
ATOM C13  CCL    0.34 !            |     ||
ATOM O13A OCL   -0.67 !     H12A--C12----C13---O13B
ATOM O13B OCL   -0.67 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O12  OSLP  -0.57 !         / \      alpha2
ATOM O11  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL3  -0.27 !          |
ATOM H12R HAL3   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL3   0.09 !          |
ATOM H12T HAL3   0.09 !         H12T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL3  -0.27 !                         |
ATOM H12X HAL3   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL3   0.09 !                         |
ATOM H12Z HAL3   0.09 !                         H12Z
 
! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  O13B C13       C13  C12
DOUBLE  C13 O13A
BOND  C12  H12A      C12  C11       C1   O11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 H12T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 H12Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32  C13 C12 O13B O13A

!IC table from IC generate, minimized geometry
IC N     C12   C11   O12    1.4891  109.93   64.23  111.52   1.4345
IC N     C12   C13   O13B   1.4891  108.78 -175.98  117.97   1.2539
IC HN1   C12   *N    HN2    1.0594  109.33  118.39  102.42   1.0478
IC HN1   C12   *N    HN3    1.0594  109.33 -123.51  111.37   1.0290
IC HN1   N     C12   C11    1.0594  109.33  -16.80  109.93   1.5580
IC C11   N     *C12  C13    1.5580  109.93 -121.84  108.78   1.5424
IC C13   N     *C12  H12A   1.5424  108.78 -117.79  109.18   1.0794
IC O13B  C12   *C13  O13A   1.2539  117.97  178.90  118.13   1.2655
IC O12   C12   *C11  H11A   1.4345  111.52 -126.26  110.05   1.1169
IC H11A  C12   *C11  H11B   1.1169  110.05 -115.34  107.30   1.1148
IC C12   C11   O12   P      1.5580  111.52  -99.98  122.21   1.5848
IC C11   O12   P     O11    1.4345  122.21  -55.63  102.29   1.5789
IC O11   O12   *P    O13    1.5789  102.29 -117.49  109.44   1.4730
IC O11   O12   *P    O14    1.5789  102.29  114.26  105.55   1.4828
IC O12   P     O11   C1     1.5848  102.29  -57.27  120.48   1.4322
IC P     O11   C1    C2     1.5789  120.48  -87.79  112.61   1.5559
IC C2    O11   *C1   HA     1.5559  112.61 -118.54  108.31   1.1125
IC HA    O11   *C1   HB     1.1125  108.31 -117.75  112.02   1.1146
IC O11   C1    C2    C3     1.4322  112.61 -179.46  111.68   1.5589
IC C3    C1    *C2   O21    1.5589  111.68  122.72  107.77   1.4403
IC C3    C1    *C2   HS     1.5589  111.68 -118.15  106.82   1.1170
IC C1    C2    O21   C21    1.5559  107.77  162.21  115.61   1.3150
IC C2    O21   C21   C22    1.4403  115.61 -174.15  108.52   1.5308
IC C22   O21   *C21  O22    1.5308  108.52 -178.93  126.48   1.2177
IC O21   C21   C22   C23    1.3150  108.52 -161.76  112.30   1.5451
IC C23   C21   *C22  H2R    1.5451  112.30 -121.50  107.45   1.1092
IC H2R   C21   *C22  H2S    1.1092  107.45 -116.98  108.10   1.1093
IC C1    C2    C3    O31    1.5559  111.68  -52.51  110.63   1.4450
IC O31   C2    *C3   HX     1.4450  110.63 -119.21  108.84   1.1107
IC HX    C2    *C3   HY     1.1107  108.84 -115.84  107.52   1.1153
IC C2    C3    O31   C31    1.5589  110.63  112.86  117.20   1.3272
IC C3    O31   C31   C32    1.4450  117.20 -168.35  109.07   1.5279
IC C32   O31   *C31  O32    1.5279  109.07  177.73  126.07   1.2164
IC O31   C31   C32   C33    1.3272  109.07  -74.25  112.64   1.5444
IC C33   C31   *C32  H2X    1.5444  112.64 -122.66  108.07   1.1084
IC H2X   C31   *C32  H2Y    1.1084  108.07 -116.55  107.15   1.1113
IC C21   C22   C23   C24    1.5308  112.30  177.91  112.32   1.5359
IC C24   C22   *C23  H3R    1.5359  112.32 -121.07  108.67   1.1133
IC H3R   C22   *C23  H3S    1.1133  108.67 -117.41  109.71   1.1143
IC C22   C23   C24   C25    1.5451  112.32  179.66  113.72   1.5385
IC C25   C23   *C24  H4R    1.5385  113.72 -121.18  108.53   1.1139
IC H4R   C23   *C24  H4S    1.1139  108.53 -116.88  109.06   1.1131
IC C23   C24   C25   C26    1.5359  113.72   62.22  113.52   1.5367
IC C26   C24   *C25  H5R    1.5367  113.52 -121.83  109.08   1.1132
IC H5R   C24   *C25  H5S    1.1132  109.08 -117.13  108.61   1.1135
IC C24   C25   C26   C27    1.5385  113.52  176.56  112.95   1.5368
IC C27   C25   *C26  H6R    1.5368  112.95 -121.36  109.02   1.1128
IC H6R   C25   *C26  H6S    1.1128  109.02 -117.16  108.98   1.1100
IC C25   C26   C27   C28    1.5367  112.95 -179.20  113.93   1.5399
IC C28   C26   *C27  H7R    1.5399  113.93 -123.64  110.16   1.1113
IC H7R   C26   *C27  H7S    1.1113  110.16 -116.59  107.25   1.1144
IC C26   C27   C28   C29    1.5368  113.93  -93.70  114.93   1.5420
IC C29   C27   *C28  H8R    1.5420  114.93 -118.47  107.45   1.1152
IC H8R   C27   *C28  H8S    1.1152  107.45 -115.96  109.97   1.1105
IC C27   C28   C29   C210   1.5399  114.93   66.39  115.90   1.5399
IC C210  C28   *C29  H9R    1.5399  115.90 -122.16  108.40   1.1133
IC H9R   C28   *C29  H9S    1.1133  108.40 -115.77  108.31   1.1129
IC C28   C29   C210  C211   1.5420  115.90   58.41  115.07   1.5388
IC C211  C29   *C21  H10R   6.3253   16.96   95.07    9.47   6.0286
IC H10R  C29   *C21  H10S   6.0286    9.47  -36.77   15.90   7.3839
IC C29   C210  C211  C212   1.5399  115.07   62.51  114.55   1.5323
IC C212  C210  *C21  H11R   7.6123   19.62  -35.47   18.04   5.8989
IC H11R  C210  *C21  H11S   5.8989   18.04   60.92   17.08   5.6654
IC C210  C211  C212  H12R   1.5388  114.55  -63.16  110.67   1.1109
IC H12R  C211  *C21  H12S   8.3272    6.96   47.64   15.22   7.5216
IC H12R  C211  *C21  H12T   8.3272    6.96  101.62    9.10   8.1865
IC C31   C32   C33   C34    1.5279  112.64  -75.87  112.70   1.5364
IC C34   C32   *C33  H3X    1.5364  112.70 -119.26  108.25   1.1151
IC H3X   C32   *C33  H3Y    1.1151  108.25 -116.69  110.11   1.1123
IC C32   C33   C34   C35    1.5444  112.70  178.13  113.13   1.5382
IC C35   C33   *C34  H4X    1.5382  113.13 -123.33  110.68   1.1125
IC H4X   C33   *C34  H4Y    1.1125  110.68 -116.62  107.51   1.1143
IC C33   C34   C35   C36    1.5364  113.13  -99.87  114.17   1.5392
IC C36   C34   *C35  H5X    1.5392  114.17 -119.78  108.39   1.1145
IC H5X   C34   *C35  H5Y    1.1145  108.39 -116.66  109.33   1.1122
IC C34   C35   C36   C37    1.5382  114.17   58.34  114.39   1.5358
IC C37   C35   *C36  H6X    1.5358  114.39 -121.49  108.81   1.1134
IC H6X   C35   *C36  H6Y    1.1134  108.81 -116.81  108.64   1.1131
IC C35   C36   C37   C38    1.5392  114.39  177.41  112.36   1.5361
IC C38   C36   *C37  H7X    1.5361  112.36 -121.51  109.38   1.1127
IC H7X   C36   *C37  H7Y    1.1127  109.38 -117.65  108.97   1.1127
IC C36   C37   C38   C39    1.5358  112.36 -179.01  113.81   1.5389
IC C39   C37   *C38  H8X    1.5389  113.81 -122.34  109.05   1.1122
IC H8X   C37   *C38  H8Y    1.1122  109.05 -116.63  108.59   1.1131
IC C37   C38   C39   C310   1.5361  113.81  -60.02  115.00   1.5410
IC C310  C38   *C39  H9X    1.5410  115.00  121.40  108.49   1.1136
IC H9X   C38   *C39  H9Y    1.1136  108.49  116.27  108.68   1.1127
IC C38   C39   C310  C311   1.5389  115.00  -56.60  115.12   1.5388
IC C311  C39   *C31  H10X   5.1057   25.95  -55.74   21.34   5.7488
IC H10X  C39   *C31  H10Y   5.7488   21.34  -12.53   13.96   4.1024
IC C39   C310  C311  C312   1.5410  115.12  -57.44  114.57   1.5324
IC C312  C310  *C31  H11X   6.5942   20.77   20.50   25.40   4.6121
IC H11X  C310  *C31  H11Y   4.6121   25.40  -52.28   25.06   4.8387
IC C310  C311  C312  H12X   1.5388  114.57  -55.45  110.37   1.1106
IC H12X  C311  *C31  H12Y   7.2220    5.07 -173.55    9.39   7.0599
IC H12X  C311  *C31  H12Z   7.2220    5.07  102.38   12.47   6.8714

RESI DLPA        -1.00 ! 2,3 dilauroyl-D-glycero-1-Phosphatidic acid
!
!  R1 - CH2
!       |
!  R2 - CH
!       |     (-)
!       CH2 - PO4 - H
!
! Polar Head and glycerol backbone
GROUP                 !            H12
                      !            |     
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.82 !         \ /      alpha3
ATOM O14  O2L   -0.82 !          P (+)
ATOM O12  OHL   -0.68 !         / \      alpha2
ATOM H12  HOL    0.34 !   (-) O14  O11
ATOM O11  OSLP  -0.62 !            |
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL3  -0.27 !          |
ATOM H12R HAL3   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL3   0.09 !          |
ATOM H12T HAL3   0.09 !         H12T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL3  -0.27 !                         |
ATOM H12X HAL3   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL3   0.09 !                         |
ATOM H12Z HAL3   0.09 !                         H12Z
 
! Polar Head
BOND  O12  P         P    O11       P    O13       P    O14
BOND  O12  H12       O11  C1
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 H12T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 H12Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC O11   P     O12   H12    1.5807  107.12  179.80  105.25   0.9594
IC O12   O11   *P    O13    1.5648  107.12  112.86  111.62   1.4716
IC O12   O11   *P    O14    1.5648  107.12 -112.61  111.22   1.4723
IC O12   P     O11   C1     1.5648  107.12  177.80  116.98   1.4333
IC P     O11   C1    C2     1.5807  116.98  177.37  111.07   1.5515
IC C2    O11   *C1   HA     1.5515  111.07 -119.84  110.91   1.1162
IC HA    O11   *C1   HB     1.1162  110.91 -120.43  110.17   1.1153
IC O11   C1    C2    C3     1.4333  111.07  176.43  111.27   1.5550
IC C3    C1    *C2   O21    1.5550  111.27  121.76  108.25   1.4404
IC C3    C1    *C2   HS     1.5550  111.27 -118.60  106.44   1.1164
IC C1    C2    O21   C21    1.5515  108.25  160.25  115.39   1.3128
IC C2    O21   C21   C22    1.4404  115.39 -175.42  109.02   1.5311
IC C22   O21   *C21  O22    1.5311  109.02 -179.90  126.22   1.2211
IC O21   C21   C22   C23    1.3128  109.02 -146.89  112.22   1.5455
IC C23   C21   *C22  H2R    1.5455  112.22 -121.45  107.29   1.1089
IC H2R   C21   *C22  H2S    1.1089  107.29 -117.05  108.56   1.1101
IC C1    C2    C3    O31    1.5515  111.27  -53.46  110.54   1.4449
IC O31   C2    *C3   HX     1.4449  110.54 -121.38  109.64   1.1117
IC HX    C2    *C3   HY     1.1117  109.64 -117.05  105.80   1.1178
IC C2    C3    O31   C31    1.5550  110.54  158.35  114.35   1.3256
IC C3    O31   C31   C32    1.4449  114.35 -176.09  109.65   1.5294
IC C32   O31   *C31  O32    1.5294  109.65  179.65  125.67   1.2169
IC O31   C31   C32   C33    1.3256  109.65  -72.37  112.57   1.5466
IC C33   C31   *C32  H2X    1.5466  112.57 -121.63  107.53   1.1091
IC H2X   C31   *C32  H2Y    1.1091  107.53 -117.09  107.69   1.1107
IC C21   C22   C23   C24    1.5311  112.22  179.54  112.51   1.5364
IC C24   C22   *C23  H3R    1.5364  112.51 -121.13  108.49   1.1130
IC H3R   C22   *C23  H3S    1.1130  108.49 -117.39  109.92   1.1139
IC C22   C23   C24   C25    1.5455  112.51 -179.22  113.65   1.5384
IC C25   C23   *C24  H4R    1.5384  113.65 -121.46  108.66   1.1134
IC H4R   C23   *C24  H4S    1.1134  108.66 -116.72  109.19   1.1125
IC C23   C24   C25   C26    1.5364  113.65   62.74  113.39   1.5362
IC C26   C24   *C25  H5R    1.5362  113.39 -121.74  108.99   1.1124
IC H5R   C24   *C25  H5S    1.1124  108.99 -117.06  108.76   1.1132
IC C24   C25   C26   C27    1.5384  113.39  177.89  113.04   1.5364
IC C27   C25   *C26  H6R    1.5364  113.04 -121.64  108.93   1.1132
IC H6R   C25   *C26  H6S    1.1132  108.93 -117.12  108.97   1.1105
IC C25   C26   C27   C28    1.5362  113.04  178.52  113.41   1.5398
IC C28   C26   *C27  H7R    1.5398  113.41 -123.32  110.02   1.1121
IC H7R   C26   *C27  H7S    1.1121  110.02 -116.54  107.46   1.1143
IC C26   C27   C28   C29    1.5364  113.41  -97.04  114.60   1.5421
IC C29   C27   *C28  H8R    1.5421  114.60 -118.72  107.58   1.1150
IC H8R   C27   *C28  H8S    1.1150  107.58 -116.06  109.94   1.1114
IC C27   C28   C29   C210   1.5398  114.60   65.36  115.76   1.5407
IC C210  C28   *C29  H9R    1.5407  115.76 -121.82  108.23   1.1136
IC H9R   C28   *C29  H9S    1.1136  108.23 -115.82  108.37   1.1128
IC C28   C29   C210  C211   1.5421  115.76   61.40  114.96   1.5394
IC C211  C29   *C21  H10R   6.2855   16.87   58.09   15.94   7.3741
IC H10R  C29   *C21  H10S   7.3741   15.94   37.59    9.67   6.0245
IC C29   C210  C211  C212   1.5407  114.96   61.78  114.52   1.5321
IC C212  C210  *C21  H11R   7.5634   19.79  -35.10   18.02   5.8397
IC H11R  C210  *C21  H11S   5.8397   18.02   61.72   17.11   5.6424
IC C210  C211  C212  H12R   1.5394  114.52  -64.52  110.83   1.1101
IC H12R  C211  *C21  H12S   8.2634    7.45  100.22    8.93   8.1609
IC H12R  C211  *C21  H12T   8.2634    7.45   47.68   15.45   7.4617
IC C31   C32   C33   C34    1.5294  112.57  -62.93  112.69   1.5345
IC C34   C32   *C33  H3X    1.5345  112.69 -120.38  108.62   1.1136
IC H3X   C32   *C33  H3Y    1.1136  108.62 -117.11  109.87   1.1139
IC C32   C33   C34   C35    1.5466  112.69 -175.81  113.30   1.5377
IC C35   C33   *C34  H4X    1.5377  113.30 -121.47  108.66   1.1126
IC H4X   C33   *C34  H4Y    1.1126  108.66 -116.84  109.49   1.1131
IC C33   C34   C35   C36    1.5345  113.30 -171.47  112.34   1.5367
IC C36   C34   *C35  H5X    1.5367  112.34 -120.86  108.21   1.1127
IC H5X   C34   *C35  H5Y    1.1127  108.21 -117.27  109.95   1.1122
IC C34   C35   C36   C37    1.5377  112.34   78.14  112.77   1.5375
IC C37   C35   *C36  H6X    1.5375  112.77 -120.98  108.02   1.1135
IC H6X   C35   *C36  H6Y    1.1135  108.02 -117.38  110.10   1.1132
IC C35   C36   C37   C38    1.5367  112.77 -156.33  112.62   1.5359
IC C38   C36   *C37  H7X    1.5359  112.62 -122.93  109.55   1.1121
IC H7X   C36   *C37  H7Y    1.1121  109.55 -116.93  108.87   1.1128
IC C36   C37   C38   C39    1.5375  112.62 -179.76  114.09   1.5399
IC C39   C37   *C38  H8X    1.5399  114.09 -121.35  108.41   1.1131
IC H8X   C37   *C38  H8Y    1.1131  108.41 -116.50  109.16   1.1129
IC C37   C38   C39   C310   1.5359  114.09  -54.04  115.37   1.5428
IC C310  C38   *C39  H9X    1.5428  115.37  121.48  108.41   1.1134
IC H9X   C38   *C39  H9Y    1.1134  108.41  115.94  108.45   1.1126
IC C38   C39   C310  C311   1.5399  115.37  -54.53  115.53   1.5405
IC C311  C39   *C31  H10X   5.4305   19.11  -39.82   17.59   7.1316
IC H10X  C39   *C31  H10Y   7.1316   17.59  -37.40   16.13   5.8102
IC C39   C310  C311  C312   1.5428  115.53  -59.09  114.74   1.5325
IC C312  C310  *C31  H11X   6.4402   23.45  -48.72   18.92   5.1916
IC H11X  C310  *C31  H11Y   5.1916   18.92   71.99   14.56   4.5649
IC C310  C311  C312  H12X   1.5405  114.74  -56.49  110.38   1.1108
IC H12X  C311  *C31  H12Y   7.3427    9.58   63.13   15.60   6.8602
IC H12X  C311  *C31  H12Z   7.3427    9.58   16.97   20.48   6.1636

RESI DLPG        -1.00 ! 2,3 dilauroyl-D-glycero-1-Phosphatidylglycerol
!
!  R1 - CH2
!       |
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH(OH) - CH2OH
!
! Polar Head and glycerol backbone
GROUP                 !
ATOM C13  CTL2   0.05 !
ATOM H13A HAL2   0.09 !           H13A
ATOM H13B HAL2   0.09 !            |
ATOM OC3  OHL   -0.65 !            |
ATOM HO3  HOL    0.42 !     H13B--C13---OC3--HO3
GROUP                 !            |
ATOM C12  CTL1   0.14 !            |
ATOM H12A HAL1   0.09 !            |
ATOM OC2  OHL   -0.65 !     H12A--C12---OC2--HO2
ATOM HO2  HOL    0.42 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O12  OSLP  -0.57 !         / \      alpha2
ATOM O11  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL3  -0.27 !          |
ATOM H12R HAL3   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL3   0.09 !          |
ATOM H12T HAL3   0.09 !         H12T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL3  -0.27 !                         |
ATOM H12X HAL3   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL3   0.09 !                         |
ATOM H12Z HAL3   0.09 !                         H12Z
 
! Polar Head
BOND  HO3  OC3       OC3  C13       C13  H13A      C13  H13B      C13  C12
BOND  HO2  OC2       OC2  C12       C12  H12A      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 H12T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 H12Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC C13   C12   C11   O12    1.5488  112.66  -35.81  112.39   1.4344
IC OC3   C13   C12   C11    1.4270  110.57  -42.21  112.66   1.5571
IC OC3   C12   *C13  H13A   1.4270  110.57 -122.49  109.88   1.1107
IC OC3   C12   *C13  H13B   1.4270  110.57  118.97  108.79   1.1138
IC C12   C13   OC3   HO3    1.5488  110.57   57.80  102.36   0.9730
IC C11   C13   *C12  OC2    1.5571  112.66 -123.12  109.82   1.4244
IC OC2   C13   *C12  H12A   1.4244  109.82 -117.60  108.41   1.1125
IC C13   C12   OC2   HO2    1.5488  109.82   76.72  104.26   0.9856
IC O12   C12   *C11  H11A   1.4344  112.39 -127.09  110.08   1.1160
IC H11A  C12   *C11  H11B   1.1160  110.08 -115.04  106.84   1.1128
IC C12   C11   O12   P      1.5571  112.39  -88.77  119.48   1.5876
IC C11   O12   P     O11    1.4344  119.48  -61.43  101.30   1.5863
IC O11   O12   *P    O13    1.5863  101.30 -115.24  108.56   1.4777
IC O11   O12   *P    O14    1.5863  101.30  114.96  107.76   1.4796
IC O12   P     O11   C1     1.5876  101.30  -76.29  119.38   1.4327
IC P     O11   C1    C2     1.5863  119.38  -98.06  111.23   1.5544
IC C2    O11   *C1   HA     1.5544  111.23 -119.43  109.09   1.1120
IC HA    O11   *C1   HB     1.1120  109.09 -117.62  112.27   1.1163
IC O11   C1    C2    C3     1.4327  111.23  155.08  111.33   1.5580
IC C3    C1    *C2   O21    1.5580  111.33  121.74  107.47   1.4417
IC C3    C1    *C2   HS     1.5580  111.33 -118.17  107.50   1.1176
IC C1    C2    O21   C21    1.5544  107.47  164.23  115.49   1.3176
IC C2    O21   C21   C22    1.4417  115.49  178.81  109.28   1.5305
IC C22   O21   *C21  O22    1.5305  109.28 -178.37  126.55   1.2162
IC O21   C21   C22   C23    1.3176  109.28 -131.34  111.14   1.5453
IC C23   C21   *C22  H2R    1.5453  111.14 -120.90  107.65   1.1085
IC H2R   C21   *C22  H2S    1.1085  107.65 -117.65  108.99   1.1090
IC C1    C2    C3    O31    1.5544  111.33  -52.96  111.19   1.4430
IC O31   C2    *C3   HX     1.4430  111.19 -125.73  110.75   1.1127
IC HX    C2    *C3   HY     1.1127  110.75 -116.02  106.99   1.1115
IC C2    C3    O31   C31    1.5580  111.19  -84.70  114.67   1.3353
IC C3    O31   C31   C32    1.4430  114.67  169.86  108.81   1.5299
IC C32   O31   *C31  O32    1.5299  108.81  177.38  125.35   1.2164
IC O31   C31   C32   C33    1.3353  108.81  159.05  112.77   1.5460
IC C33   C31   *C32  H2X    1.5460  112.77 -123.39  109.05   1.1076
IC H2X   C31   *C32  H2Y    1.1076  109.05 -117.03  106.18   1.1130
IC C21   C22   C23   C24    1.5305  111.14  175.26  112.68   1.5349
IC C24   C22   *C23  H3R    1.5349  112.68 -120.99  108.81   1.1138
IC H3R   C22   *C23  H3S    1.1138  108.81 -117.44  109.55   1.1145
IC C22   C23   C24   C25    1.5453  112.68  177.70  113.53   1.5386
IC C25   C23   *C24  H4R    1.5386  113.53 -121.19  108.71   1.1137
IC H4R   C23   *C24  H4S    1.1137  108.71 -116.99  108.95   1.1129
IC C23   C24   C25   C26    1.5349  113.53   61.28  113.60   1.5365
IC C26   C24   *C25  H5R    1.5365  113.60 -121.63  109.02   1.1133
IC H5R   C24   *C25  H5S    1.1133  109.02 -117.12  108.66   1.1129
IC C24   C25   C26   C27    1.5386  113.60  176.81  112.99   1.5371
IC C27   C25   *C26  H6R    1.5371  112.99 -121.62  109.15   1.1127
IC H6R   C25   *C26  H6S    1.1127  109.15 -117.04  108.75   1.1098
IC C25   C26   C27   C28    1.5365  112.99 -179.86  113.84   1.5403
IC C28   C26   *C27  H7R    1.5403  113.84 -123.53  110.08   1.1118
IC H7R   C26   *C27  H7S    1.1118  110.08 -116.74  107.22   1.1147
IC C26   C27   C28   C29    1.5371  113.84  -94.53  114.98   1.5423
IC C29   C27   *C28  H8R    1.5423  114.98 -118.62  107.55   1.1151
IC H8R   C27   *C28  H8S    1.1151  107.55 -115.96  109.87   1.1107
IC C27   C28   C29   C210   1.5403  114.98   64.14  115.87   1.5403
IC C210  C28   *C29  H9R    1.5403  115.87 -121.83  108.31   1.1137
IC H9R   C28   *C29  H9S    1.1137  108.31 -115.81  108.37   1.1131
IC C28   C29   C210  C211   1.5423  115.87   59.81  115.11   1.5388
IC C211  C29   *C21  H10R   6.1917   16.71   58.06   16.02   7.3189
IC H10R  C29   *C21  H10S   7.3189   16.02   39.64    9.92   6.0006
IC C29   C210  C211  C212   1.5403  115.11   63.48  114.60   1.5323
IC C212  C210  *C21  H11R   7.4422   20.21  -37.03   18.08   5.7731
IC H11R  C210  *C21  H11S   5.7731   18.08   62.75   16.88   5.5091
IC C210  C211  C212  H12R   1.5388  114.60  -63.42  110.71   1.1104
IC H12R  C211  *C21  H12S   8.1749    7.44   94.78    9.78   8.0156
IC H12R  C211  *C21  H12T   8.1749    7.44   43.36   16.00   7.3146
IC C31   C32   C33   C34    1.5299  112.77  -69.13  113.47   1.5366
IC C34   C32   *C33  H3X    1.5366  113.47 -120.56  108.49   1.1138
IC H3X   C32   *C33  H3Y    1.1138  108.49 -116.78  109.56   1.1146
IC C32   C33   C34   C35    1.5460  113.47  179.47  111.91   1.5361
IC C35   C33   *C34  H4X    1.5361  111.91 -120.27  108.72   1.1128
IC H4X   C33   *C34  H4Y    1.1128  108.72 -117.78  109.88   1.1117
IC C33   C34   C35   C36    1.5366  111.91 -176.09  114.38   1.5378
IC C36   C34   *C35  H5X    1.5378  114.38 -122.11  108.55   1.1125
IC H5X   C34   *C35  H5Y    1.1125  108.55 -116.55  108.53   1.1134
IC C34   C35   C36   C37    1.5361  114.38   64.23  113.71   1.5384
IC C37   C35   *C36  H6X    1.5384  113.71 -123.26  109.44   1.1114
IC H6X   C35   *C36  H6Y    1.1114  109.44 -116.46  107.95   1.1137
IC C35   C36   C37   C38    1.5378  113.71 -112.31  113.00   1.5356
IC C38   C36   *C37  H7X    1.5356  113.00 -120.62  109.15   1.1127
IC H7X   C36   *C37  H7Y    1.1127  109.15 -116.85  109.17   1.1122
IC C36   C37   C38   C39    1.5384  113.00  179.54  113.61   1.5384
IC C39   C37   *C38  H8X    1.5384  113.61 -122.94  109.27   1.1115
IC H8X   C37   *C38  H8Y    1.1115  109.27 -116.56  107.99   1.1133
IC C37   C38   C39   C310   1.5356  113.61  -67.79  114.78   1.5409
IC C310  C38   *C39  H9X    1.5409  114.78  121.64  108.49   1.1131
IC H9X   C38   *C39  H9Y    1.1131  108.49  116.32  108.77   1.1127
IC C38   C39   C310  C311   1.5384  114.78  -60.02  115.17   1.5390
IC C311  C39   *C31  H10X   4.3669   20.38  -77.56   19.42   5.1399
IC H10X  C39   *C31  H10Y   5.1399   19.42   43.15   20.02   6.2479
IC C39   C310  C311  C312   1.5409  115.17  -54.81  114.62   1.5319
IC C312  C310  *C31  H11X   5.2048   28.12   29.00   13.18   3.4733
IC H11X  C310  *C31  H11Y   3.4733   13.18  -85.71   21.85   4.2194
IC C310  C311  C312  H12X   1.5390  114.62  -55.10  110.50   1.1105
IC H12X  C311  *C31  H12Y   6.1611   13.80   52.73   21.20   5.5856
IC H12X  C311  *C31  H12Z   6.1611   13.80    8.73   26.64   4.8649

RESI DMPC         0.00 ! 2,3 dimyristoyl-D-glycero-1-Phosphatidylcholine
!
!  R1 - CH2
!       |          (angles and atom names from Sundaralingam)
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH2 - N(CH3)3
!
! Polar Head and glycerol backbone
GROUP                 !          H15B
ATOM N    NTL   -0.60 !            |
ATOM C13  CTL5  -0.35 !      H15A-C15-H15C
ATOM H13A HL     0.25 !            |
ATOM H13B HL     0.25 !    H13B    |    H14A
ATOM H13C HL     0.25 !      |     |     |
ATOM C14  CTL5  -0.35 !H13A-C13----N----C14-H14B     (+)
ATOM H14A HL     0.25 !      |     |     |
ATOM H14B HL     0.25 !    H13C    |    H14C
ATOM H14C HL     0.25 !            |
ATOM C15  CTL5  -0.35 !            |
ATOM H15A HL     0.25 !            |    alpha6
ATOM H15B HL     0.25 !            |
ATOM H15C HL     0.25 !            |
ATOM C12  CTL2  -0.10 !     H12A--C12---H12B
ATOM H12A HL     0.25 !            |
ATOM H12B HL     0.25 !            |
GROUP                 !                  alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O11  OSLP  -0.57 !         / \      alpha2
ATOM O12  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2- - - - - - -
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !              beta4
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !                      HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !                      O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !                         C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !                  H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !                               gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL3  -0.27 !          |
ATOM H14R HAL3   0.09 !   H14R---C214--H14S     |
ATOM H14S HAL3   0.09 !          |
ATOM H14T HAL3   0.09 !         H14T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL3  -0.27 !                         |
ATOM H14X HAL3   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL3   0.09 !                         |
ATOM H14Z HAL3   0.09 !                         H14Z

! Polar Head
BOND  N    C13       N    C14       N    C15
BOND  C13  H13A      C13  H13B      C13  H13C
BOND  C14  H14A      C14  H14B      C14  H14C
BOND  C15  H15A      C15  H15B      C15  H15C
BOND  N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        C1   O11
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 H14T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 H14Z

IMPR C21 O21 C22 O22   C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC C13    N      C12    C11        1.4955  110.64   57.27  116.86   1.5415
IC C15    N      C12    C11        1.4976  109.72  180.00  116.86   1.5415
IC C13    C12    *N     C14        1.4955  110.64 -119.74  108.01   1.5030
IC C13    C12    *N     C15        1.4955  110.64  122.73  109.72   1.4976
IC C12    N      C13    H13A       1.5224  110.64 -177.67  111.18   1.0813
IC H13A   N      *C13   H13B       1.0813  111.18  119.03  109.35   1.0870
IC H13A   N      *C13   H13C       1.0813  111.18 -122.04  111.32   1.0813
IC C12    N      C14    H14A       1.5224  108.01   56.08  111.03   1.0952
IC H14A   N      *C14   H14B       1.0952  111.03  123.93  113.88   1.0740
IC H14A   N      *C14   H14C       1.0952  111.03 -112.36  110.24   1.0938
IC C12    N      C15    H15A       1.5224  109.72  176.74  110.89   1.0821
IC H15A   N      *C15   H15B       1.0821  110.89  121.45  111.48   1.0812
IC H15A   N      *C15   H15C       1.0821  110.89 -118.76  109.68   1.0875
IC C11    N      *C12   H12A       1.5415  116.86 -126.38  111.91   1.0785
IC H12A   N      *C12   H12B       1.0785  111.91 -116.30  108.18   1.0972
IC N      C12    C11    O12        1.5224  116.86  127.42  108.31   1.4234
IC O12    C12    *C11   H11A       1.4234  108.31 -123.13  113.24   1.1138
IC H11A   C12    *C11   H11B       1.1138  113.24 -118.65  109.16   1.1130
IC C12    C11    O12    P          1.5415  108.31  -67.88  118.40   1.5875
IC C11    O12    P      O11        1.4234  118.40 -166.94  104.13   1.5782
IC O11    O12    *P     O13        1.5782  104.13  117.91  108.15   1.4793
IC O11    O12    *P     O14        1.5782  104.13 -117.27  106.75   1.4823
IC O12    P      O11    C1         1.5875  104.13  177.32  118.17   1.4318
IC P      O11    C1     C2         1.5782  118.17  167.65  110.87   1.5511
IC C2     O11    *C1    HA         1.5511  110.87 -119.11  111.42   1.1172
IC HA     O11    *C1    HB         1.1172  111.42 -120.82  110.01   1.1145
IC O11    C1     C2     C3         1.4318  110.87  177.69  110.63   1.5578
IC C3     C1     *C2    O21        1.5578  110.63  120.78  108.07   1.4415 !defines S chirality
IC C3     C1     *C2    HS         1.5578  110.63 -118.30  106.69   1.1168 !defines S chirality
IC C1     C2     O21    C21        1.5511  108.07  147.89  115.06   1.3179
IC C2     O21    C21    C22        1.4415  115.06  179.61  108.77   1.5289
IC C22    O21    *C21   O22        1.5289  108.77 -179.08  126.52   1.2183
IC O21    C21    C22    C23        1.3179  108.77 -173.00  112.01   1.5450
IC C23    C21    *C22   H2R        1.5450  112.01 -121.50  107.73   1.1091
IC H2R    C21    *C22   H2S        1.1091  107.73 -117.24  107.85   1.1091
IC C1     C2     C3     O31        1.5511  110.63  175.48  112.70   1.4436
IC O31    C2     *C3    HX         1.4436  112.70 -118.48  106.61   1.1129
IC HX     C2     *C3    HY         1.1129  106.61 -115.12  109.44   1.1145
IC C2     C3     O31    C31        1.5578  112.70   87.10  115.14   1.3313
IC C3     O31    C31    C32        1.4436  115.14 -172.45  108.40   1.5287
IC C32    O31    *C31   O32        1.5287  108.40 -178.98  125.63   1.2169
IC O31    C31    C32    C33        1.3313  108.40 -169.89  113.40   1.5448
IC C33    C31    *C32   H2X        1.5448  113.40 -121.09  107.19   1.1104
IC H2X    C31    *C32   H2Y        1.1104  107.19 -116.85  108.01   1.1089
IC C21    C22    C23    C24        1.5289  112.01  177.45  112.54   1.5336
IC C24    C22    *C23   H3R        1.5336  112.54 -120.79  109.48   1.1146
IC H3R    C22    *C23   H3S        1.1146  109.48 -117.62  109.70   1.1144
IC C22    C23    C24    C25        1.5450  112.54 -177.78  112.24   1.5346
IC C25    C23    *C24   H4R        1.5346  112.24 -121.51  109.37   1.1130
IC H4R    C23    *C24   H4S        1.1130  109.37 -117.64  109.09   1.1133
IC C23    C24    C25    C26        1.5336  112.24  178.33  112.83   1.5342
IC C26    C24    *C25   H5R        1.5342  112.83 -121.07  108.90   1.1136
IC H5R    C24    *C25   H5S        1.1136  108.90 -117.22  109.21   1.1132
IC C24    C25    C26    C27        1.5346  112.83 -177.92  112.39   1.5344
IC C27    C25    *C26   H6R        1.5344  112.39 -121.57  109.28   1.1129
IC H6R    C25    *C26   H6S        1.1129  109.28 -117.51  109.01   1.1133
IC C25    C26    C27    C28        1.5342  112.39  178.43  112.74   1.5342
IC C28    C26    *C27   H7R        1.5342  112.74 -121.06  108.92   1.1135
IC H7R    C26    *C27   H7S        1.1135  108.92 -117.29  109.22   1.1131
IC C26    C27    C28    C29        1.5344  112.74 -178.17  112.46   1.5345
IC C29    C27    *C28   H8R        1.5345  112.46 -121.56  109.25   1.1130
IC H8R    C27    *C28   H8S        1.1130  109.25 -117.46  109.01   1.1133
IC C27    C28    C29    C210       1.5342  112.46  178.92  112.68   1.5343
IC C210   C28    *C29   H9R        1.5343  112.68 -121.11  108.98   1.1135
IC H9R    C28    *C29   H9S        1.1135  108.98 -117.36  109.19   1.1131
IC C28    C29    C210   C211       1.5345  112.68 -178.62  112.55   1.5345
IC C211   C29    *C210  H10R       1.5345  112.55 -121.48  109.19   1.1130
IC H10R   C29    *C210  H10S       1.1130  109.19 -117.42  109.05   1.1132
IC C29    C210   C211   C212       1.5343  112.55  179.33  112.62   1.5345
IC C212   C210   *C211  H11R       1.5345  112.62 -121.19  109.03   1.1133
IC H11R   C210   *C211  H11S       1.1133  109.03 -117.37  109.14   1.1131
IC C210   C211   C212   C213       1.5345  112.62 -179.30  112.67   1.5338
IC C213   C211   *C212  H12R       1.5338  112.67 -121.40  109.15   1.1132
IC H12R   C211   *C212  H12S       1.1132  109.15 -117.41  109.09   1.1133
IC C211   C212   C213   C214       1.5345  112.67  179.80  113.26   1.5308
IC C214   C212   *C213  H13R       1.5308  113.26 -121.66  108.77   1.1142
IC H13R   C212   *C213  H13S       1.1142  108.77 -116.66  108.78   1.1140
IC C212   C213   C214   H14R       1.5338  113.26  -59.87  110.43   1.1113
IC H14R   C213   *C214  H14S       1.1113  110.43  119.85  110.46   1.1113
IC H14R   C213   *C214  H14T       1.1113  110.43 -120.04  110.62   1.1112
IC C31    C32    C33    C34        1.5287  113.40  179.64  111.32   1.5341
IC C34    C32    *C33   H3X        1.5341  111.32 -120.86  109.71   1.1137
IC H3X    C32    *C33   H3Y        1.1137  109.71 -118.09  109.81   1.1143
IC C32    C33    C34    C35        1.5448  111.32 -176.82  113.37   1.5345
IC C35    C33    *C34   H4X        1.5345  113.37 -121.80  109.05   1.1135
IC H4X    C33    *C34   H4Y        1.1135  109.05 -117.12  108.83   1.1136
IC C33    C34    C35    C36        1.5341  113.37  178.26  111.94   1.5348
IC C36    C34    *C35   H5X        1.5348  111.94 -120.83  109.02   1.1132
IC H5X    C34    *C35   H5Y        1.1132  109.02 -117.61  109.44   1.1129
IC C34    C35    C36    C37        1.5345  111.94 -176.79  113.19   1.5342
IC C37    C35    *C36   H6X        1.5342  113.19 -121.90  109.15   1.1132
IC H6X    C35    *C36   H6Y        1.1132  109.15 -117.14  108.76   1.1136
IC C35    C36    C37    C38        1.5348  113.19  177.72  112.13   1.5346
IC C38    C36    *C37   H7X        1.5346  112.13 -120.80  109.00   1.1133
IC H7X    C36    *C37   H7Y        1.1133  109.00 -117.59  109.40   1.1128
IC C36    C37    C38    C39        1.5342  112.13 -177.62  112.99   1.5342
IC C39    C37    *C38   H8X        1.5342  112.99 -121.75  109.20   1.1132
IC H8X    C37    *C38   H8Y        1.1132  109.20 -117.24  108.86   1.1136
IC C37    C38    C39    C310       1.5346  112.99  178.21  112.22   1.5344
IC C310   C38    *C39   H9X        1.5344  112.22 -120.97  109.07   1.1134
IC H9X    C38    *C39   H9Y        1.1134  109.07 -117.54  109.30   1.1130
IC C38    C39    C310   C311       1.5342  112.22 -178.81  112.83   1.5339
IC C311   C39    *C310  H10X       1.5339  112.83 -121.55  109.12   1.1132
IC H10X   C39    *C310  H10Y       1.1132  109.12 -117.29  108.97   1.1134
IC C39    C310   C311   C312       1.5344  112.83  179.12  112.41   1.5346
IC C312   C310   *C311  H11X       1.5346  112.41 -121.13  109.11   1.1132
IC H11X   C310   *C311  H11Y       1.1132  109.11 -117.49  109.19   1.1130
IC C310   C311   C312   C313       1.5339  112.41 -179.72  112.68   1.5336
IC C313   C311   *C312  H12X       1.5336  112.68 -121.39  109.14   1.1133
IC H12X   C311   *C312  H12Y       1.1133  109.14 -117.34  109.09   1.1133
IC C311   C312   C313   C314       1.5346  112.68  179.81  113.29   1.5308
IC C314   C312   *C313  H13X       1.5308  113.29 -121.66  108.73   1.1141
IC H13X   C312   *C313  H13Y       1.1141  108.73 -116.66  108.73   1.1141
IC C312   C313   C314   H14X       1.5336  113.29  -59.97  110.46   1.1113
IC H14X   C313   *C314  H14Y       1.1113  110.46  119.87  110.46   1.1113
IC H14X   C313   *C314  H14Z       1.1113  110.46 -120.06  110.59   1.1112

RESI DMPE         0.00 ! 2,3 dimyristoyl-D-glycero-1-Phosphatidylethanolamine
!
!  R1 - CH2
!       |          (angles and atom names from Sundaralingam)
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH2 - NH3
!
! Polar Head and glycerol backbone
GROUP                 ! 
ATOM N    NH3L  -0.30 !           HN2
ATOM HN1  HCL    0.33 !            |
ATOM HN2  HCL    0.33 !  (+) HN1---N---HN3
ATOM HN3  HCL    0.33 !            |
ATOM C12  CTL2   0.13 !            |
ATOM H12A HAL2   0.09 !     H12A--C12---H12B
ATOM H12B HAL2   0.09 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O11  OSLP  -0.57 !         / \      alpha2
ATOM O12  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2- - - - - - -
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !              beta4
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !                      HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !                      O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !                         C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !                  H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !                               gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL3  -0.27 !          |
ATOM H14R HAL3   0.09 !   H14R---C214--H14S     |
ATOM H14S HAL3   0.09 !          |
ATOM H14T HAL3   0.09 !         H14T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL3  -0.27 !                         |
ATOM H14X HAL3   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL3   0.09 !                         |
ATOM H14Z HAL3   0.09 !                         H14Z

! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        C1   O11
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 H14T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 H14Z

IMPR C21 O21 C22 O22   C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC N     C12   C11   O12    1.5040  110.06   37.96  113.23   1.4300
IC HN1   C12   *N    HN2    1.0519  111.98  111.19  103.26   1.0560
IC HN1   C12   *N    HN3    1.0519  111.98 -130.65  114.42   1.0329
IC HN1   N     C12   C11    1.0519  111.98 -155.31  110.06   1.5445
IC C11   N     *C12  H12A   1.5445  110.06 -123.21  109.15   1.1064
IC H12A  N     *C12  H12B   1.1064  109.15 -117.87  107.00   1.1123
IC O12   C12   *C11  H11A   1.4300  113.23 -119.75  108.62   1.1136
IC H11A  C12   *C11  H11B   1.1136  108.62 -116.18  109.63   1.1165
IC C12   C11   O12   P      1.5445  113.23   61.76  121.26   1.5856
IC C11   O12   P     O11    1.4300  121.26  -94.85   96.42   1.5947
IC O11   O12   *P    O13    1.5947   96.42 -114.16  111.76   1.4689
IC O11   O12   *P    O14    1.5947   96.42  110.57  109.00   1.4745
IC O12   P     O11   C1     1.5856   96.42 -179.22  118.51   1.4322
IC P     O11   C1    C2     1.5947  118.51  -85.25  112.29   1.5578
IC C2    O11   *C1   HA     1.5578  112.29 -120.35  108.89   1.1125
IC HA    O11   *C1   HB     1.1125  108.89 -115.99  111.98   1.1175
IC O11   C1    C2    C3     1.4322  112.29  125.40  111.20   1.5557
IC C3    C1    *C2   O21    1.5557  111.20  121.39  110.46   1.4365
IC C3    C1    *C2   HS     1.5557  111.20 -116.63  109.13   1.1159
IC C1    C2    O21   C21    1.5578  110.46   78.76  117.58   1.3104
IC C2    O21   C21   C22    1.4365  117.58 -179.78  108.04   1.5269
IC C22   O21   *C21  O22    1.5269  108.04 -179.13  126.86   1.2225
IC O21   C21   C22   C23    1.3104  108.04 -175.16  113.24   1.5474
IC C23   C21   *C22  H2R    1.5474  113.24 -121.79  107.82   1.1099
IC H2R   C21   *C22  H2S    1.1099  107.82 -115.95  107.16   1.1091
IC C1    C2    C3    O31    1.5578  111.20 -177.26  111.83   1.4452
IC O31   C2    *C3   HX     1.4452  111.83 -125.83  109.24   1.1147
IC HX    C2    *C3   HY     1.1147  109.24 -115.47  107.06   1.1146
IC C2    C3    O31   C31    1.5557  111.83  -93.92  116.04   1.3277
IC C3    O31   C31   C32    1.4452  116.04  178.31  108.50   1.5281
IC C32   O31   *C31  O32    1.5281  108.50 -179.94  126.25   1.2166
IC O31   C31   C32   C33    1.3277  108.50 -174.75  112.68   1.5450
IC C33   C31   *C32  H2X    1.5450  112.68 -121.34  107.66   1.1099
IC H2X   C31   *C32  H2Y    1.1099  107.66 -117.10  108.00   1.1092
IC C21   C22   C23   C24    1.5269  113.24  179.71  112.17   1.5361
IC C24   C22   *C23  H3R    1.5361  112.17 -121.83  110.58   1.1131
IC H3R   C22   *C23  H3S    1.1131  110.58 -118.37  108.98   1.1148
IC C22   C23   C24   C25    1.5474  112.17  -71.53  113.71   1.5370
IC C25   C23   *C24  H4R    1.5370  113.71 -121.99  109.75   1.1131
IC H4R   C23   *C24  H4S    1.1131  109.75 -116.77  108.11   1.1141
IC C23   C24   C25   C26    1.5361  113.71  155.45  112.31   1.5347
IC C26   C24   *C25  H5R    1.5347  112.31 -118.66  109.50   1.1120
IC H5R   C24   *C25  H5S    1.1120  109.50 -117.66  110.20   1.1116
IC C24   C25   C26   C27    1.5370  112.31 -171.99  112.88   1.5383
IC C27   C25   *C26  H6R    1.5383  112.88 -124.17  110.65   1.1114
IC H6R   C25   *C26  H6S    1.1114  110.65 -116.41  107.31   1.1136
IC C25   C26   C27   C28    1.5347  112.88  140.44  113.43   1.5388
IC C28   C26   *C27  H7R    1.5388  113.43 -121.51  110.20   1.1125
IC H7R   C26   *C27  H7S    1.1125  110.20 -116.85  108.13   1.1132
IC C26   C27   C28   C29    1.5383  113.43  -93.08  114.39   1.5419
IC C29   C27   *C28  H8R    1.5419  114.39 -119.27  108.35   1.1146
IC H8R   C27   *C28  H8S    1.1146  108.35 -116.73  109.52   1.1117
IC C27   C28   C29   C210   1.5388  114.39   58.65  114.60   1.5372
IC C210  C28   *C29  H9R    1.5372  114.60 -121.68  108.89   1.1133
IC H9R   C28   *C29  H9S    1.1133  108.89 -116.32  108.01   1.1128
IC C28   C29   C210  C211   1.5419  114.60  177.83  113.74   1.5367
IC C211  C29   *C21  H10R   6.1073   20.38  -68.62   16.15   6.0147
IC H10R  C29   *C21  H10S   6.0147   16.15   59.74    1.13   5.0119
IC C29   C210  C211  C212   1.5372  113.74  -74.85  113.36   1.5358
IC C212  C210  *C21  H11R   7.3364   18.70   14.16   21.30   5.2596
IC H11R  C210  *C21  H11S   5.2596   21.30   38.19   19.65   6.4510
IC C210  C211  C212  C213   1.5367  113.36 -172.01  113.38   1.5373
IC C213  C211  *C21  H12R   7.8190   15.93  -74.24    4.24   8.2187
IC H12R  C211  *C21  H12S   8.2187    4.24   12.53   15.55   7.3012
IC C211  C212  C213  C214   1.5358  113.38  -61.69  114.42   1.5318
IC C214  C212  *C21  H13R   8.3133   17.59  -54.31   11.66   8.7627
IC H13R  C212  *C21  H13S   8.7627   11.66    7.43   17.15   7.1546
IC C212  C213  C214  H14R   1.5373  114.42  -56.02  110.43   1.1107
IC H14R  C213  *C21  H14S   9.0675   12.21  -23.37   16.25   7.5699
IC H14R  C213  *C21  H14T   9.0675   12.21  -54.42   12.99   8.9126
IC C31   C32   C33   C34    1.5281  112.68 -178.50  111.72   1.5332
IC C34   C32   *C33  H3X    1.5332  111.72 -121.04  109.86   1.1142
IC H3X   C32   *C33  H3Y    1.1142  109.86 -118.18  109.78   1.1144
IC C32   C33   C34   C35    1.5450  111.72  179.92  112.95   1.5367
IC C35   C33   *C34  H4X    1.5367  112.95 -121.58  108.52   1.1134
IC H4X   C33   *C34  H4Y    1.1134  108.52 -117.16  108.99   1.1133
IC C33   C34   C35   C36    1.5332  112.95  172.44  113.60   1.5407
IC C36   C34   *C35  H5X    1.5407  113.60 -120.33  108.65   1.1138
IC H5X   C34   *C35  H5Y    1.1138  108.65 -116.65  109.08   1.1121
IC C34   C35   C36   C37    1.5367  113.60   59.31  114.72   1.5390
IC C37   C35   *C36  H6X    1.5390  114.72 -120.81  108.04   1.1142
IC H6X   C35   *C36  H6Y    1.1142  108.04 -116.56  109.13   1.1130
IC C35   C36   C37   C38    1.5407  114.72   70.57  113.66   1.5369
IC C38   C36   *C37  H7X    1.5369  113.66 -123.21  109.08   1.1096
IC H7X   C36   *C37  H7Y    1.1096  109.08 -116.24  108.85   1.1133
IC C36   C37   C38   C39    1.5390  113.66 -171.01  113.66   1.5398
IC C39   C37   *C38  H8X    1.5398  113.66 -121.08  108.21   1.1134
IC H8X   C37   *C38  H8Y    1.1134  108.21 -116.24  109.89   1.1099
IC C37   C38   C39   C310   1.5369  113.66   68.64  114.70   1.5406
IC C310  C38   *C39  H9X    1.5406  114.70 -122.60  108.99   1.1131
IC H9X   C38   *C39  H9Y    1.1131  108.99 -116.65  108.25   1.1141
IC C38   C39   C310  C311   1.5398  114.70   59.38  113.58   1.5368
IC C311  C39   *C31  H10X   6.5292   15.94   77.17   13.71   6.8639
IC H10X  C39   *C31  H10Y   6.8639   13.71  -36.51   15.24   8.2049
IC C39   C310  C311  C312   1.5406  113.58  174.79  112.92   1.5358
IC C312  C310  *C31  H11X   6.2399   19.58  -75.35   12.33   5.6792
IC H11X  C310  *C31  H11Y   5.6792   12.33   22.26   16.99   7.2853
IC C310  C311  C312  C313   1.5368  112.92  177.61  113.44   1.5372
IC C313  C311  *C31  H12X   5.7740   23.07   62.66   18.90   5.7045
IC H12X  C311  *C31  H12Y   5.7045   18.90  -24.95   17.04   7.2700
IC C311  C312  C313  C314   1.5358  113.44   63.25  114.44   1.5324
IC C314  C312  *C31  H13X   6.8987   21.92   -0.94   16.95   4.7878
IC H13X  C312  *C31  H13Y   4.7878   16.95   49.69   20.28   5.8499
IC C312  C313  C314  H14X   1.5372  114.44  -64.16  110.75   1.1108
IC H14X  C313  *C31  H14Y   7.0643   15.91   53.48   17.15   6.8864
IC H14X  C313  *C31  H14Z   7.0643   15.91   42.84    5.47   7.8630

RESI DMPS        -1.00 ! 2,3 dimyristoyl-D-glycero-1-Phosphatidylserine
!
!  R1 - CH2        
!       |                 (-)
!  R2 - CH                CO2
!       |     (-)         |    (+)
!       CH2 - PO4 - CH2 - CH - NH3
!
! Polar Head and glycerol backbone
GROUP                  !
ATOM N    NH3L  -0.30 !           HN2
ATOM HN1  HCL    0.33 !            |
ATOM HN2  HCL    0.33 !            |
ATOM HN3  HCL    0.33 !            |
ATOM C12  CTL1   0.21 !  (+) HN1---N---HN3
ATOM H12A HBL    0.10 !            |
GROUP                 !            |     O13A (-)
ATOM C13  CCL    0.34 !            |     ||
ATOM O13A OCL   -0.67 !     H12A--C12----C13---O13B
ATOM O13B OCL   -0.67 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O12  OSLP  -0.57 !         / \      alpha2
ATOM O11  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL3  -0.27 !          |
ATOM H14R HAL3   0.09 !   H14R---C214--H14S     |
ATOM H14S HAL3   0.09 !          |
ATOM H14T HAL3   0.09 !         H14T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL3  -0.27 !                         |
ATOM H14X HAL3   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL3   0.09 !                         |
ATOM H14Z HAL3   0.09 !                         H14Z

! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  O13B C13       C13  C12
DOUBLE  C13 O13A
BOND  C12  H12A      C12  C11       C1   O11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 H14T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 H14Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32  C13 C12 O13B O13A

!IC table from IC generate, minimized geometry
IC N     C12   C11   O12    1.4858  109.77  -65.50  111.66   1.4336
IC N     C12   C13   O13B   1.4858  108.85   -1.67  118.22   1.2652
IC HN1   C12   *N    HN2    1.0452  111.38  120.72  103.02   1.0477
IC HN1   C12   *N    HN3    1.0452  111.38 -120.26  108.46   1.0568
IC HN1   N     C12   C11    1.0452  111.38  123.18  109.77   1.5593
IC C11   N     *C12  C13    1.5593  109.77  122.62  108.85   1.5432
IC C13   N     *C12  H12A   1.5432  108.85  117.12  108.82   1.0791
IC O13B  C12   *C13  O13A   1.2652  118.22  178.49  117.98   1.2552
IC O12   C12   *C11  H11A   1.4336  111.66 -118.44  107.33   1.1148
IC H11A  C12   *C11  H11B   1.1148  107.33 -115.33  110.23   1.1162
IC C12   C11   O12   P      1.5593  111.66   98.49  122.72   1.5825
IC C11   O12   P     O11    1.4336  122.72 -153.54  101.44   1.5841
IC O11   O12   *P    O13    1.5841  101.44 -117.41  110.63   1.4730
IC O11   O12   *P    O14    1.5841  101.44  112.67  106.48   1.4828
IC O12   P     O11   C1     1.5825  101.44   51.40  120.57   1.4299
IC P     O11   C1    C2     1.5841  120.57   94.31  110.59   1.5514
IC C2    O11   *C1   HA     1.5514  110.59 -124.77  112.69   1.1134
IC HA    O11   *C1   HB     1.1134  112.69 -117.39  108.43   1.1132
IC O11   C1    C2    C3     1.4299  110.59   56.91  110.13   1.5557
IC C3    C1    *C2   O21    1.5557  110.13  121.33  110.22   1.4406
IC C3    C1    *C2   HS     1.5557  110.13 -116.58  109.10   1.1161
IC C1    C2    O21   C21    1.5514  110.22   74.77  115.03   1.3189
IC C2    O21   C21   C22    1.4406  115.03 -174.87  109.18   1.5267
IC C22   O21   *C21  O22    1.5267  109.18 -178.97  126.08   1.2208
IC O21   C21   C22   C23    1.3189  109.18  147.16  112.13   1.5469
IC C23   C21   *C22  H2R    1.5469  112.13 -120.96  108.38   1.1106
IC H2R   C21   *C22  H2S    1.1106  108.38 -117.19  107.82   1.1080
IC C1    C2    C3    O31    1.5514  110.13  177.33  112.10   1.4464
IC O31   C2    *C3   HX     1.4464  112.10 -126.05  108.82   1.1147
IC HX    C2    *C3   HY     1.1147  108.82 -114.63  106.97   1.1139
IC C2    C3    O31   C31    1.5557  112.10  -95.35  115.74   1.3256
IC C3    O31   C31   C32    1.4464  115.74  176.51  108.73   1.5289
IC C32   O31   *C31  O32    1.5289  108.73  179.39  126.49   1.2173
IC O31   C31   C32   C33    1.3256  108.73 -164.90  111.78   1.5438
IC C33   C31   *C32  H2X    1.5438  111.78 -121.18  107.70   1.1089
IC H2X   C31   *C32  H2Y    1.1089  107.70 -117.52  108.21   1.1093
IC C21   C22   C23   C24    1.5267  112.13 -173.46  112.29   1.5354
IC C24   C22   *C23  H3R    1.5354  112.29 -123.07  110.79   1.1131
IC H3R   C22   *C23  H3S    1.1131  110.79 -117.84  108.75   1.1160
IC C22   C23   C24   C25    1.5469  112.29  -73.86  114.15   1.5392
IC C25   C23   *C24  H4R    1.5392  114.15 -121.75  109.46   1.1137
IC H4R   C23   *C24  H4S    1.1137  109.46 -116.12  108.02   1.1136
IC C23   C24   C25   C26    1.5354  114.15  138.76  112.43   1.5367
IC C26   C24   *C25  H5R    1.5367  112.43 -121.50  110.46   1.1121
IC H5R   C24   *C25  H5S    1.1121  110.46 -117.08  108.30   1.1134
IC C24   C25   C26   C27    1.5392  112.43  -80.69  112.18   1.5362
IC C27   C25   *C26  H6R    1.5362  112.18 -120.78  109.92   1.1128
IC H6R   C25   *C26  H6S    1.1128  109.92 -117.54  108.59   1.1129
IC C25   C26   C27   C28    1.5367  112.18  157.36  113.40   1.5360
IC C28   C26   *C27  H7R    1.5360  113.40 -120.39  108.49   1.1126
IC H7R   C26   *C27  H7S    1.1126  108.49 -116.63  109.16   1.1122
IC C26   C27   C28   C29    1.5362  113.40  171.72  113.83   1.5403
IC C29   C27   *C28  H8R    1.5403  113.83 -121.54  109.21   1.1130
IC H8R   C27   *C28  H8S    1.1130  109.21 -116.82  108.47   1.1133
IC C27   C28   C29   C210   1.5360  113.83   48.81  115.14   1.5405
IC C210  C28   *C29  H9R    1.5405  115.14  123.12  108.85   1.1124
IC H9R   C28   *C29  H9S    1.1124  108.85  116.31  108.22   1.1140
IC C28   C29   C210  C211   1.5403  115.14   57.49  115.62   1.5392
IC C211  C29   *C21  H10R   5.5834   20.76   82.55   12.77   5.2155
IC H10R  C29   *C21  H10S   5.2155   12.77  -29.19   18.29   6.7126
IC C29   C210  C211  C212   1.5405  115.62   61.83  115.64   1.5400
IC C212  C210  *C21  H11R   6.9148   21.84  -27.60   20.30   5.0048
IC H11R  C210  *C21  H11S   5.0048   20.30   60.48   20.63   5.1267
IC C210  C211  C212  C213   1.5392  115.64   68.06  114.54   1.5387
IC C213  C211  *C21  H12R   7.8860   10.25  -61.74   16.43   6.8022
IC H12R  C211  *C21  H12S   6.8022   16.43  -53.00    8.88   7.5347
IC C211  C212  C213  C214   1.5400  114.54  -96.54  114.70   1.5325
IC C214  C212  *C21  H13R   8.9829   11.30  -76.75   10.99   8.4977
IC H13R  C212  *C21  H13S   8.4977   10.99   37.09   16.91   7.4427
IC C212  C213  C214  H14R   1.5387  114.70  -58.95  110.31   1.1111
IC H14R  C213  *C21  H14S   9.5741    9.14  -78.92    7.58   9.7374
IC H14R  C213  *C21  H14T   9.5741    9.14  -43.73   14.18   8.6761
IC C31   C32   C33   C34    1.5289  111.78 -179.81  112.76   1.5334
IC C34   C32   *C33  H3X    1.5334  112.76 -120.90  109.05   1.1126
IC H3X   C32   *C33  H3Y    1.1126  109.05 -117.56  109.79   1.1148
IC C32   C33   C34   C35    1.5438  112.76 -179.27  112.12   1.5371
IC C35   C33   *C34  H4X    1.5371  112.12 -121.69  108.46   1.1110
IC H4X   C33   *C34  H4Y    1.1110  108.46 -117.05  109.47   1.1128
IC C33   C34   C35   C36    1.5334  112.12 -177.32  113.98   1.5395
IC C36   C34   *C35  H5X    1.5395  113.98 -120.62  108.03   1.1141
IC H5X   C34   *C35  H5Y    1.1141  108.03 -116.11  109.21   1.1116
IC C34   C35   C36   C37    1.5371  113.98   67.64  114.63   1.5396
IC C37   C35   *C36  H6X    1.5396  114.63 -121.76  108.19   1.1135
IC H6X   C35   *C36  H6Y    1.1135  108.19 -116.59  108.91   1.1134
IC C35   C36   C37   C38    1.5395  114.63   69.45  113.46   1.5389
IC C38   C36   *C37  H7X    1.5389  113.46 -123.20  109.09   1.1099
IC H7X   C36   *C37  H7Y    1.1099  109.09 -116.49  108.73   1.1135
IC C36   C37   C38   C39    1.5396  113.46 -174.23  114.27   1.5408
IC C39   C37   *C38  H8X    1.5408  114.27 -120.60  107.53   1.1141
IC H8X   C37   *C38  H8Y    1.1141  107.53 -116.34  110.06   1.1095
IC C37   C38   C39   C310   1.5389  114.27   77.75  115.25   1.5942
IC C310  C38   *C39  H9X    1.5942  115.25 -124.52  109.22   1.1126
IC H9X   C38   *C39  H9Y    1.1126  109.22 -114.49  108.25   1.1149
IC C38   C39   C310  C311   1.5408  115.25   -1.83  128.87   1.5918
IC C311  C39   *C31  H10X   5.9864   15.43  -44.24   11.75   7.2949
IC H10X  C39   *C31  H10Y   7.2949   11.75   91.51   11.63   7.2571
IC C39   C310  C311  C312   1.5942  128.87  122.79  114.86   1.5432
IC C312  C310  *C31  H11X   5.9352   18.57 -131.67    3.88   5.2775
IC H11X  C310  *C31  H11Y   5.2775    3.88 -148.78   13.72   5.9318
IC C310  C311  C312  C313   1.5918  114.86 -107.36  114.68   1.5403
IC C313  C311  *C31  H12X   5.3509   25.70   57.62   21.12   5.6041
IC H12X  C311  *C31  H12Y   5.6041   21.12  -28.67   17.17   7.0158
IC C311  C312  C313  C314   1.5432  114.68   73.28  115.35   1.5320
IC C314  C312  *C31  H13X   6.3480   24.10    4.58   16.30   4.2989
IC H13X  C312  *C31  H13Y   4.2989   16.30   46.63   21.34   5.5244
IC C312  C313  C314  H14X   1.5403  115.35  -64.19  110.85   1.1089
IC H14X  C313  *C31  H14Y   6.4590   18.46   50.83   19.65   6.2760
IC H14X  C313  *C31  H14Z   6.4590   18.46   36.61    7.86   7.3589

RESI DMPA        -1.00 ! 2,3 dimyristoyl-D-glycero-1-Phosphatidic acid
!
!  R1 - CH2
!       |
!  R2 - CH
!       |     (-)
!       CH2 - PO4 - H
!
! Polar Head and glycerol backbone
GROUP                 !            H12
                      !            |     
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.82 !         \ /      alpha3
ATOM O14  O2L   -0.82 !          P (+)
ATOM O12  OHL   -0.68 !         / \      alpha2
ATOM H12  HOL    0.34 !   (-) O14  O11
ATOM O11  OSLP  -0.62 !            |
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL3  -0.27 !          |
ATOM H14R HAL3   0.09 !   H14R---C214--H14S     |
ATOM H14S HAL3   0.09 !          |
ATOM H14T HAL3   0.09 !         H14T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL3  -0.27 !                         |
ATOM H14X HAL3   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL3   0.09 !                         |
ATOM H14Z HAL3   0.09 !                         H14Z

! Polar Head
BOND  O12  P         P    O11       P    O13       P    O14
BOND  O12  H12       O11  C1
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 H14T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 H14Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC O11   P     O12   H12    1.5789  105.28  179.39  105.08   0.9601
IC O12   O11   *P    O13    1.5667  105.28  111.83  112.10   1.4709
IC O12   O11   *P    O14    1.5667  105.28 -111.35  111.87   1.4700
IC O12   P     O11   C1     1.5667  105.28  -68.74  121.14   1.4306
IC P     O11   C1    C2     1.5789  121.14   94.60  111.38   1.5535
IC C2    O11   *C1   HA     1.5535  111.38 -124.61  113.12   1.1163
IC HA    O11   *C1   HB     1.1163  113.12 -117.86  107.52   1.1125
IC O11   C1    C2    C3     1.4306  111.38   34.79  111.14   1.5566
IC C3    C1    *C2   O21    1.5566  111.14  119.87  110.44   1.4391
IC C3    C1    *C2   HS     1.5566  111.14 -117.42  108.74   1.1158
IC C1    C2    O21   C21    1.5535  110.44   72.92  116.07   1.3132
IC C2    O21   C21   C22    1.4391  116.07 -176.55  107.94   1.5301
IC C22   O21   *C21  O22    1.5301  107.94 -177.86  126.98   1.2166
IC O21   C21   C22   C23    1.3132  107.94  161.44  112.88   1.5461
IC C23   C21   *C22  H2R    1.5461  112.88 -121.42  107.99   1.1101
IC H2R   C21   *C22  H2S    1.1101  107.99 -116.61  107.35   1.1081
IC C1    C2    C3    O31    1.5535  111.14  178.34  111.61   1.4464
IC O31   C2    *C3   HX     1.4464  111.61 -125.67  108.73   1.1145
IC HX    C2    *C3   HY     1.1145  108.73 -115.18  107.65   1.1128
IC C2    C3    O31   C31    1.5566  111.61  -92.62  116.14   1.3219
IC C3    O31   C31   C32    1.4464  116.14  172.46  108.16   1.5293
IC C32   O31   *C31  O32    1.5293  108.16  179.61  127.04   1.2163
IC O31   C31   C32   C33    1.3219  108.16 -165.86  112.47   1.5442
IC C33   C31   *C32  H2X    1.5442  112.47 -121.22  107.28   1.1091
IC H2X   C31   *C32  H2Y    1.1091  107.28 -117.11  108.17   1.1093
IC C21   C22   C23   C24    1.5301  112.88 -179.46  112.01   1.5353
IC C24   C22   *C23  H3R    1.5353  112.01 -122.58  110.58   1.1132
IC H3R   C22   *C23  H3S    1.1132  110.58 -117.58  108.46   1.1152
IC C22   C23   C24   C25    1.5461  112.01  -76.56  113.48   1.5387
IC C25   C23   *C24  H4R    1.5387  113.48 -121.53  109.58   1.1132
IC H4R   C23   *C24  H4S    1.1132  109.58 -116.31  108.08   1.1132
IC C23   C24   C25   C26    1.5353  113.48  141.29  113.06   1.5362
IC C26   C24   *C25  H5R    1.5362  113.06 -121.25  110.07   1.1126
IC H5R   C24   *C25  H5S    1.1126  110.07 -116.77  108.36   1.1131
IC C24   C25   C26   C27    1.5387  113.06  -79.04  112.34   1.5366
IC C27   C25   *C26  H6R    1.5366  112.34 -120.02  109.21   1.1133
IC H6R   C25   *C26  H6S    1.1133  109.21 -117.63  109.27   1.1124
IC C25   C26   C27   C28    1.5362  112.34  173.35  112.96   1.5348
IC C28   C26   *C27  H7R    1.5348  112.96 -121.40  109.06   1.1128
IC H7R   C26   *C27  H7S    1.1128  109.06 -116.95  108.88   1.1129
IC C26   C27   C28   C29    1.5366  112.96  172.03  113.68   1.5380
IC C29   C27   *C28  H8R    1.5380  113.68 -121.52  109.14   1.1129
IC H8R   C27   *C28  H8S    1.1129  109.14 -117.01  108.49   1.1135
IC C27   C28   C29   C210   1.5348  113.68   53.19  113.73   1.5374
IC C210  C28   *C29  H9R    1.5374  113.73  121.72  108.40   1.1126
IC H9R   C28   *C29  H9S    1.1126  108.40  116.86  109.29   1.1131
IC C28   C29   C210  C211   1.5380  113.73  168.39  113.38   1.5380
IC C211  C29   *C21  H10R   7.3620   20.35  -50.22   17.35   6.2941
IC H10R  C29   *C21  H10S   6.2941   17.35   60.06   12.17   5.4122
IC C29   C210  C211  C212   1.5374  113.38 -102.08  113.97   1.5389
IC C212  C210  *C21  H11R   8.2919   13.68   44.45   18.11   6.9239
IC H11R  C210  *C21  H11S   6.9239   18.11   31.91   10.90   8.0810
IC C210  C211  C212  C213   1.5380  113.97   60.74  114.36   1.5347
IC C213  C211  *C21  H12R   9.1967   12.69   44.64   16.08   7.8088
IC H12R  C211  *C21  H12S   7.8088   16.08   29.26    9.70   9.0362
IC C211  C212  C213  C214   1.5389  114.36  178.80  113.09   1.5310
IC C214  C212  *C21  H13R  10.2849    9.96  -37.09   14.45   8.6808
IC H13R  C212  *C21  H13S   8.6808   14.45  -37.48   10.07   9.7760
IC C212  C213  C214  H14R   1.5347  113.09  179.23  110.64   1.1108
IC H14R  C213  *C21  H14S  10.9911    7.12   79.61    7.64  10.9245
IC H14R  C213  *C21  H14T  10.9911    7.12   38.17   12.33   9.9358
IC C31   C32   C33   C34    1.5293  112.47 -174.51  111.81   1.5321
IC C34   C32   *C33  H3X    1.5321  111.81 -121.75  109.76   1.1134
IC H3X   C32   *C33  H3Y    1.1134  109.76 -117.95  109.57   1.1147
IC C32   C33   C34   C35    1.5442  111.81 -179.26  112.87   1.5358
IC C35   C33   *C34  H4X    1.5358  112.87 -121.38  108.05   1.1123
IC H4X   C33   *C34  H4Y    1.1123  108.05 -116.78  109.64   1.1132
IC C33   C34   C35   C36    1.5321  112.87 -168.27  112.56   1.5361
IC C36   C34   *C35  H5X    1.5361  112.56 -121.53  108.31   1.1133
IC H5X   C34   *C35  H5Y    1.1133  108.31 -117.07  109.66   1.1128
IC C34   C35   C36   C37    1.5358  112.56   78.69  112.29   1.5364
IC C37   C35   *C36  H6X    1.5364  112.29 -122.01  108.94   1.1127
IC H6X   C35   *C36  H6Y    1.1127  108.94 -117.55  109.44   1.1131
IC C35   C36   C37   C38    1.5361  112.29 -168.17  113.36   1.5354
IC C38   C36   *C37  H7X    1.5354  113.36 -122.16  108.81   1.1128
IC H7X   C36   *C37  H7Y    1.1128  108.81 -116.52  109.03   1.1099
IC C36   C37   C38   C39    1.5364  113.36 -173.54  113.83   1.5407
IC C39   C37   *C38  H8X    1.5407  113.83 -123.68  109.70   1.1121
IC H8X   C37   *C38  H8Y    1.1121  109.70 -116.58  107.67   1.1145
IC C37   C38   C39   C310   1.5354  113.83  -73.53  116.32   1.5934
IC C310  C38   *C39  H9X    1.5934  116.32 -121.02  108.05   1.1150
IC H9X   C38   *C39  H9Y    1.1150  108.05 -114.19  108.91   1.1132
IC C38   C39   C310  C311   1.5407  116.32    6.13  130.96   1.5905
IC C311  C39   *C31  H10X   7.5249   17.78  -47.48    9.72   7.8180
IC H10X  C39   *C31  H10Y   7.8180    9.72   70.87   11.62   8.8894
IC C39   C310  C311  C312   1.5934  130.96  122.16  114.97   1.5461
IC C312  C310  *C31  H11X   7.0205   15.64   88.13    9.86   6.7847
IC H11X  C310  *C31  H11Y   6.7847    9.86  -34.46   14.77   8.1780
IC C310  C311  C312  C313   1.5905  114.97  -94.65  115.98   1.5419
IC C313  C311  *C31  H12X   5.7287   16.69   56.04   16.50   7.0228
IC H12X  C311  *C31  H12Y   7.0228   16.50  -43.96   16.17   7.8860
IC C311  C312  C313  C314   1.5461  115.98   87.01  115.71   1.5333
IC C314  C312  *C31  H13X   6.1529   21.53  -59.25    6.65   4.9479
IC H13X  C312  *C31  H13Y   4.9479    6.65  125.45   14.12   5.4998
IC C312  C313  C314  H14X   1.5419  115.71  -65.51  111.33   1.1087
IC H14X  C313  *C31  H14Y   6.5701   19.02   37.82   22.34   5.4586
IC H14X  C313  *C31  H14Z   6.5701   19.02   49.36   15.67   7.0597

RESI DMPG        -1.00 ! 2,3 dimyristoyl-D-glycero-1-Phosphatidylglycerol
!
!  R1 - CH2
!       |
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH(OH) - CH2OH
!
! Polar Head and glycerol backbone
GROUP                 !
ATOM C13  CTL2   0.05 !
ATOM H13A HAL2   0.09 !           H13A
ATOM H13B HAL2   0.09 !            |
ATOM OC3  OHL   -0.65 !            |
ATOM HO3  HOL    0.42 !     H13B--C13---OC3--HO3
GROUP                 !            |
ATOM C12  CTL1   0.14 !            |
ATOM H12A HAL1   0.09 !            |
ATOM OC2  OHL   -0.65 !     H12A--C12---OC2--HO2
ATOM HO2  HOL    0.42 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O12  OSLP  -0.57 !         / \      alpha2
ATOM O11  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL3  -0.27 !          |
ATOM H14R HAL3   0.09 !   H14R---C214--H14S     |
ATOM H14S HAL3   0.09 !          |
ATOM H14T HAL3   0.09 !         H14T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL3  -0.27 !                         |
ATOM H14X HAL3   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL3   0.09 !                         |
ATOM H14Z HAL3   0.09 !                         H14Z
 
! Polar Head
BOND  HO3  OC3       OC3  C13       C13  H13A      C13  H13B      C13  C12
BOND  HO2  OC2       OC2  C12       C12  H12A      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 H14T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 H14Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC C13   C12   C11   O12    1.5492  112.61   39.08  112.05   1.4332
IC OC3   C13   C12   C11    1.4273  110.57   41.85  112.61   1.5531
IC OC3   C12   *C13  H13A   1.4273  110.57 -119.10  109.19   1.1121
IC OC3   C12   *C13  H13B   1.4273  110.57  122.38  109.91   1.1106
IC C12   C13   OC3   HO3    1.5492  110.57  -58.22  102.68   0.9724
IC C11   C13   *C12  OC2    1.5531  112.61  122.46  110.08   1.4233
IC OC2   C13   *C12  H12A   1.4233  110.08  118.05  108.42   1.1125
IC C13   C12   OC2   HO2    1.5492  110.08  -83.06  103.49   0.9780
IC O12   C12   *C11  H11A   1.4332  112.05 -117.95  107.12   1.1130
IC H11A  C12   *C11  H11B   1.1130  107.12 -114.86  110.00   1.1169
IC C12   C11   O12   P      1.5531  112.05   98.93  120.46   1.5860
IC C11   O12   P     O11    1.4332  120.46  -62.16  100.61   1.5949
IC O11   O12   *P    O13    1.5949  100.61 -114.96  109.25   1.4761
IC O11   O12   *P    O14    1.5949  100.61  113.98  109.18   1.4764
IC O12   P     O11   C1     1.5860  100.61  -99.43  118.25   1.4319
IC P     O11   C1    C2     1.5949  118.25 -175.15  110.39   1.5502
IC C2    O11   *C1   HA     1.5502  110.39 -121.33  110.79   1.1139
IC HA    O11   *C1   HB     1.1139  110.79 -120.07  110.82   1.1172
IC O11   C1    C2    C3     1.4319  110.39   53.51  111.21   1.5541
IC C3    C1    *C2   O21    1.5541  111.21  119.86  109.38   1.4369
IC C3    C1    *C2   HS     1.5541  111.21 -117.66  108.61   1.1166
IC C1    C2    O21   C21    1.5502  109.38   77.93  115.26   1.3167
IC C2    O21   C21   C22    1.4369  115.26 -172.76  108.18   1.5287
IC C22   O21   *C21  O22    1.5287  108.18 -179.77  126.45   1.2185
IC O21   C21   C22   C23    1.3167  108.18 -169.25  113.11   1.5462
IC C23   C21   *C22  H2R    1.5462  113.11  122.41  107.63   1.1094
IC H2R   C21   *C22  H2S    1.1094  107.63  116.57  107.12   1.1098
IC C1    C2    C3    O31    1.5502  111.21 -166.56  111.78   1.4442
IC O31   C2    *C3   HX     1.4442  111.78 -126.14  109.25   1.1143
IC HX    C2    *C3   HY     1.1143  109.25 -115.50  107.44   1.1131
IC C2    C3    O31   C31    1.5541  111.78  -93.02  117.00   1.3225
IC C3    O31   C31   C32    1.4442  117.00  178.72  108.12   1.5310
IC C32   O31   *C31  O32    1.5310  108.12  178.18  126.85   1.2164
IC O31   C31   C32   C33    1.3225  108.12 -157.23  113.09   1.5449
IC C33   C31   *C32  H2X    1.5449  113.09  121.71  108.25   1.1099
IC H2X   C31   *C32  H2Y    1.1099  108.25  116.97  107.26   1.1090
IC C21   C22   C23   C24    1.5287  113.11 -172.18  112.95   1.5374
IC C24   C22   *C23  H3R    1.5374  112.95 -121.90  109.32   1.1135
IC H3R   C22   *C23  H3S    1.1135  109.32 -117.44  109.53   1.1153
IC C22   C23   C24   C25    1.5462  112.95  -56.90  113.51   1.5355
IC C25   C23   *C24  H4R    1.5355  113.51 -121.64  108.81   1.1132
IC H4R   C23   *C24  H4S    1.1132  108.81 -117.03  108.89   1.1135
IC C23   C24   C25   C26    1.5374  113.51 -177.01  112.98   1.5358
IC C26   C24   *C25  H5R    1.5358  112.98 -120.25  109.14   1.1132
IC H5R   C24   *C25  H5S    1.1132  109.14 -117.41  109.11   1.1120
IC C24   C25   C26   C27    1.5355  112.98 -173.30  113.10   1.5381
IC C27   C25   *C26  H6R    1.5381  113.10 -122.92  109.70   1.1120
IC H6R   C25   *C26  H6S    1.1120  109.70 -117.15  108.04   1.1141
IC C25   C26   C27   C28    1.5358  113.10  -69.10  114.00   1.5391
IC C28   C26   *C27  H7R    1.5391  114.00 -121.38  108.86   1.1133
IC H7R   C26   *C27  H7S    1.1133  108.86 -116.07  108.55   1.1131
IC C26   C27   C28   C29    1.5381  114.00  126.36  113.71   1.5381
IC C29   C27   *C28  H8R    1.5381  113.71 -122.22  109.96   1.1122
IC H8R   C27   *C28  H8S    1.1122  109.96 -116.63  108.39   1.1134
IC C27   C28   C29   C210   1.5391  113.71  -71.33  113.21   1.5374
IC C210  C28   *C29  H9R    1.5374  113.21  123.08  109.33   1.1111
IC H9R   C28   *C29  H9S    1.1111  109.33  116.99  108.53   1.1137
IC C28   C29   C210  C211   1.5381  113.21 -177.16  113.69   1.5373
IC C211  C29   *C21  H10R   6.7466   20.34  -53.81    9.34   5.4537
IC H10R  C29   *C21  H10S   5.4537    9.34  114.37   12.24   5.7425
IC C29   C210  C211  C212   1.5374  113.69  -99.55  114.37   1.5384
IC C212  C210  *C21  H11R   6.8917   21.93   51.85   19.82   6.3258
IC H11R  C210  *C21  H11S   6.3258   19.82   -8.11   11.82   7.8041
IC C210  C211  C212  C213   1.5373  114.37   63.27  114.43   1.5340
IC C213  C211  *C21  H12R   7.8244   18.59   29.82   18.40   5.9629
IC H12R  C211  *C21  H12S   5.9629   18.40   25.12   16.35   7.5133
IC C211  C212  C213  C214   1.5384  114.43  175.20  112.89   1.5310
IC C214  C212  *C21  H13R   8.4144   15.48  -51.97   16.84   7.4437
IC H13R  C212  *C21  H13S   7.4437   16.84  -15.01    8.47   8.7319
IC C212  C213  C214  H14R   1.5340  112.89  179.31  110.77   1.1108
IC H14R  C213  *C21  H14S   9.2035   11.48   22.44   16.11   7.7219
IC H14R  C213  *C21  H14T   9.2035   11.48   55.92   12.67   8.9837
IC C31   C32   C33   C34    1.5310  113.09 -178.28  111.59   1.5346
IC C34   C32   *C33  H3X    1.5346  111.59 -120.83  109.33   1.1140
IC H3X   C32   *C33  H3Y    1.1140  109.33 -117.99  110.03   1.1144
IC C32   C33   C34   C35    1.5449  111.59 -174.31  113.11   1.5364
IC C35   C33   *C34  H4X    1.5364  113.11 -122.25  108.62   1.1122
IC H4X   C33   *C34  H4Y    1.1122  108.62 -116.91  108.87   1.1136
IC C33   C34   C35   C36    1.5346  113.11  178.97  113.24   1.5389
IC C36   C34   *C35  H5X    1.5389  113.24 -120.22  107.97   1.1141
IC H5X   C34   *C35  H5Y    1.1141  107.97 -116.72  109.51   1.1114
IC C34   C35   C36   C37    1.5364  113.24   73.83  113.88   1.5375
IC C37   C35   *C36  H6X    1.5375  113.88 -121.61  108.15   1.1135
IC H6X   C35   *C36  H6Y    1.1135  108.15 -116.83  109.39   1.1129
IC C35   C36   C37   C38    1.5389  113.88   76.26  113.19   1.5381
IC C38   C36   *C37  H7X    1.5381  113.19 -122.91  109.29   1.1105
IC H7X   C36   *C37  H7Y    1.1105  109.29 -116.75  109.13   1.1135
IC C36   C37   C38   C39    1.5375  113.19 -167.61  113.26   1.5378
IC C39   C37   *C38  H8X    1.5378  113.26 -121.09  107.81   1.1135
IC H8X   C37   *C38  H8Y    1.1135  107.81 -116.68  110.45   1.1117
IC C37   C38   C39   C310   1.5381  113.26  100.04  113.52   1.5398
IC C310  C38   *C39  H9X    1.5398  113.52 -123.52  109.65   1.1119
IC H9X   C38   *C39  H9Y    1.1119  109.65 -117.03  108.47   1.1143
IC C38   C39   C310  C311   1.5378  113.52  -60.17  114.06   1.5370
IC C311  C39   *C31  H10X   6.4738   13.56  -53.13   14.93   7.9571
IC H10X  C39   *C31  H10Y   7.9571   14.93   46.49   14.58   8.6271
IC C39   C310  C311  C312   1.5398  114.06 -176.63  113.77   1.5373
IC C312  C310  *C31  H11X   6.3576   17.14  168.76    2.60   5.6838
IC H11X  C310  *C31  H11Y   5.6838    2.60  -93.22   14.15   6.5946
IC C310  C311  C312  C313   1.5370  113.77  -64.55  113.62   1.5352
IC C313  C311  *C31  H12X   6.4874   22.88   53.04   18.77   5.5392
IC H12X  C311  *C31  H12Y   5.5392   18.77   -5.18   16.79   7.3137
IC C311  C312  C313  C314   1.5373  113.62 -174.69  113.22   1.5307
IC C314  C312  *C31  H13X   6.7455   22.28  -48.62   15.57   7.4716
IC H13X  C312  *C31  H13Y   7.4716   15.57   -1.88   19.78   5.7427
IC C312  C313  C314  H14X   1.5352  113.22  -59.68  110.52   1.1110
IC H14X  C313  *C31  H14Y   7.6334   15.18  -48.36   17.66   7.1324
IC H14X  C313  *C31  H14Z   7.6334   15.18  -10.75   19.60   5.9480

RESI DPPC         0.00 ! 2,3 dipalmitoyl-D-glycero-1-Phosphatidylcholine
!
!  R1 - CH2
!       |          (angles and atom names from Sundaralingam)
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH2 - N(CH3)3
!
! Polar Head and glycerol backbone
GROUP                 !          H15B
ATOM N    NTL   -0.60 !            |
ATOM C13  CTL5  -0.35 !      H15A-C15-H15C
ATOM H13A HL     0.25 !            |
ATOM H13B HL     0.25 !    H13B    |    H14A
ATOM H13C HL     0.25 !      |     |     |
ATOM C14  CTL5  -0.35 !H13A-C13----N----C14-H14B     (+)
ATOM H14A HL     0.25 !      |     |     |
ATOM H14B HL     0.25 !    H13C    |    H14C
ATOM H14C HL     0.25 !            |
ATOM C15  CTL5  -0.35 !            |
ATOM H15A HL     0.25 !            |    alpha6
ATOM H15B HL     0.25 !            |
ATOM H15C HL     0.25 !            |
ATOM C12  CTL2  -0.10 !     H12A--C12---H12B
ATOM H12A HL     0.25 !            |
ATOM H12B HL     0.25 !            |
GROUP                 !                  alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O11  OSLP  -0.57 !         / \      alpha2
ATOM O12  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2- - - - - - -
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !              beta4
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !                      HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !                      O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !                         C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !                  H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !                               gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL2  -0.18 !          |              |
ATOM H14R HAL2   0.09 !   H14R---C214--H14S
ATOM H14S HAL2   0.09 !          |              |
GROUP                 !
ATOM C215 CTL2  -0.18 !          |              |
ATOM H15R HAL2   0.09 !   H15R---C215--H15S
ATOM H15S HAL2   0.09 !          |              |
GROUP                 !
ATOM C216 CTL3  -0.27 !          |
ATOM H16R HAL3   0.09 !   H16R---C216--H16S     |
ATOM H16S HAL3   0.09 !          |
ATOM H16T HAL3   0.09 !         H16T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL2  -0.18 !                         |
ATOM H14X HAL2   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2   0.09 !                         |
GROUP                 !
ATOM C315 CTL2  -0.18 !                         |
ATOM H15X HAL2   0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2   0.09 !                         |
GROUP                 !
ATOM C316 CTL3  -0.27 !                         |
ATOM H16X HAL3   0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL3   0.09 !                         |
ATOM H16Z HAL3   0.09 !                         H16Z

! Polar Head
BOND  N    C13       N    C14       N    C15
BOND  C13  H13A      C13  H13B      C13  H13C
BOND  C14  H14A      C14  H14B      C14  H14C
BOND  C15  H15A      C15  H15B      C15  H15C
BOND  N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        C1   O11
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 H16T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 H16Z

IMPR C21 O21 C22 O22   C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC C13    N      C12    C11        1.4954  110.61   57.30  116.86   1.5411
IC C15    N      C12    C11        1.4975  109.67 -179.96  116.86   1.5411
IC C13    C12    *N     C14        1.4954  110.61 -119.72  108.04   1.5030
IC C13    C12    *N     C15        1.4954  110.61  122.74  109.67   1.4975
IC C12    N      C13    H13A       1.5222  110.61 -177.62  111.18   1.0811
IC H13A   N      *C13   H13B       1.0811  111.18  119.00  109.33   1.0870
IC H13A   N      *C13   H13C       1.0811  111.18 -122.05  111.32   1.0813
IC C12    N      C14    H14A       1.5222  108.04   55.75  111.02   1.0953
IC H14A   N      *C14   H14B       1.0953  111.02  123.86  113.88   1.0740
IC H14A   N      *C14   H14C       1.0953  111.02 -112.40  110.25   1.0937
IC C12    N      C15    H15A       1.5222  109.67  176.85  110.89   1.0820
IC H15A   N      *C15   H15B       1.0820  110.89  121.48  111.48   1.0813
IC H15A   N      *C15   H15C       1.0820  110.89 -118.74  109.66   1.0876
IC C11    N      *C12   H12A       1.5411  116.86 -126.39  111.90   1.0787
IC H12A   N      *C12   H12B       1.0787  111.90 -116.29  108.17   1.0973
IC N      C12    C11    O12        1.5222  116.86  127.40  108.21   1.4230
IC O12    C12    *C11   H11A       1.4230  108.21 -123.09  113.27   1.1137
IC H11A   C12    *C11   H11B       1.1137  113.27 -118.71  109.20   1.1129
IC C12    C11    O12    P          1.5411  108.21  -68.07  118.42   1.5874
IC C11    O12    P      O11        1.4230  118.42 -166.83  104.01   1.5775
IC O11    O12    *P     O13        1.5775  104.01  117.90  108.15   1.4792
IC O11    O12    *P     O14        1.5775  104.01 -117.24  106.77   1.4822
IC O12    P      O11    C1         1.5874  104.01  178.48  118.38   1.4312
IC P      O11    C1     C2         1.5775  118.38  167.50  110.65   1.5505
IC C2     O11    *C1    HA         1.5505  110.65 -119.12  111.48   1.1171
IC HA     O11    *C1    HB         1.1171  111.48 -120.88  110.00   1.1145
IC O11    C1     C2     C3         1.4312  110.65  176.57  110.77   1.5573
IC C3     C1     *C2    O21        1.5573  110.77  120.75  108.04   1.4418 !defines S chirality
IC C3     C1     *C2    HS         1.5573  110.77 -118.27  106.63   1.1170 !defines S chirality
IC C1     C2     O21    C21        1.5505  108.04  147.09  115.01   1.3179
IC C2     O21    C21    C22        1.4418  115.01  179.22  108.80   1.5292
IC C22    O21    *C21   O22        1.5292  108.80 -178.84  126.50   1.2187
IC O21    C21    C22    C23        1.3179  108.80 -177.42  111.91   1.5450
IC C23    C21    *C22   H2R        1.5450  111.91 -121.60  107.88   1.1091
IC H2R    C21    *C22   H2S        1.1091  107.88 -117.29  107.69   1.1091
IC C1     C2     C3     O31        1.5505  110.77  174.77  112.55   1.4433
IC O31    C2     *C3    HX         1.4433  112.55 -118.38  106.64   1.1128
IC HX     C2     *C3    HY         1.1128  106.64 -115.20  109.46   1.1144
IC C2     C3     O31    C31        1.5573  112.55   88.07  115.30   1.3310
IC C3     O31    C31    C32        1.4433  115.30 -172.19  108.29   1.5287
IC C32    O31    *C31   O32        1.5287  108.29 -179.12  125.69   1.2167
IC O31    C31    C32    C33        1.3310  108.29 -167.41  113.60   1.5449
IC C33    C31    *C32   H2X        1.5449  113.60 -121.15  107.11   1.1105
IC H2X    C31    *C32   H2Y        1.1105  107.11 -116.79  108.04   1.1091
IC C21    C22    C23    C24        1.5292  111.91  176.40  112.78   1.5339
IC C24    C22    *C23   H3R        1.5339  112.78 -120.84  109.53   1.1148
IC H3R    C22    *C23   H3S        1.1148  109.53 -117.51  109.55   1.1144
IC C22    C23    C24    C25        1.5450  112.78 -179.42  112.02   1.5348
IC C25    C23    *C24   H4R        1.5348  112.02 -121.40  109.42   1.1129
IC H4R    C23    *C24   H4S        1.1129  109.42 -117.70  109.09   1.1132
IC C23    C24    C25    C26        1.5339  112.02  177.20  113.15   1.5345
IC C26    C24    *C25   H5R        1.5345  113.15 -121.11  108.85   1.1137
IC H5R    C24    *C25   H5S        1.1137  108.85 -117.08  109.10   1.1133
IC C24    C25    C26    C27        1.5348  113.15 -179.00  112.16   1.5349
IC C27    C25    *C26   H6R        1.5349  112.16 -121.50  109.37   1.1128
IC H6R    C25    *C26   H6S        1.1128  109.37 -117.60  108.99   1.1133
IC C25    C26    C27    C28        1.5345  112.16  177.46  113.03   1.5345
IC C28    C26    *C27   H7R        1.5345  113.03 -121.07  108.86   1.1136
IC H7R    C26    *C27   H7S        1.1136  108.86 -117.16  109.14   1.1132
IC C26    C27    C28    C29        1.5349  113.03 -178.73  112.29   1.5348
IC C29    C27    *C28   H8R        1.5348  112.29 -121.53  109.34   1.1129
IC H8R    C27    *C28   H8S        1.1129  109.34 -117.54  108.99   1.1133
IC C27    C28    C29    C210       1.5345  112.29  177.77  112.89   1.5345
IC C210   C28    *C29   H9R        1.5345  112.89 -121.06  108.89   1.1135
IC H9R    C28    *C29   H9S        1.1135  108.89 -117.23  109.16   1.1131
IC C28    C29    C210   C211       1.5348  112.89 -178.85  112.40   1.5348
IC C211   C29    *C210  H10R       1.5348  112.40 -121.51  109.29   1.1130
IC H10R   C29    *C210  H10S       1.1130  109.29 -117.49  109.00   1.1133
IC C29    C210   C211   C212       1.5345  112.40  178.16  112.78   1.5345
IC C212   C210   *C211  H11R       1.5345  112.78 -121.11  108.96   1.1135
IC H11R   C210   *C211  H11S       1.1135  108.96 -117.30  109.16   1.1131
IC C210   C211   C212   C213       1.5348  112.78 -179.23  112.49   1.5347
IC C213   C211   *C212  H12R       1.5347  112.49 -121.45  109.24   1.1130
IC H12R   C211   *C212  H12S       1.1130  109.24 -117.45  109.03   1.1133
IC C211   C212   C213   C214       1.5345  112.49  178.82  112.71   1.5347
IC C214   C212   *C213  H13R       1.5347  112.71 -121.19  109.01   1.1133
IC H13R   C212   *C213  H13S       1.1133  109.01 -117.33  109.14   1.1131
IC C212   C213   C214   C215       1.5347  112.71 -179.59  112.61   1.5341
IC C215   C213   *C214  H14R       1.5341  112.61 -121.38  109.18   1.1131
IC H14R   C213   *C214  H14S       1.1131  109.18 -117.39  109.09   1.1133
IC C213   C214   C215   C216       1.5347  112.61  179.60  113.33   1.5309
IC C216   C214   *C215  H15R       1.5309  113.33 -121.65  108.72   1.1142
IC H15R   C214   *C215  H15S       1.1142  108.72 -116.62  108.76   1.1141
IC C214   C215   C216   H16R       1.5341  113.33  -59.94  110.45   1.1113
IC H16R   C215   *C216  H16S       1.1113  110.45  119.88  110.47   1.1113
IC H16R   C215   *C216  H16T       1.1113  110.45 -120.04  110.63   1.1112
IC C31    C32    C33    C34        1.5287  113.60  179.68  111.12   1.5341
IC C34    C32    *C33   H3X        1.5341  111.12 -120.80  109.72   1.1137
IC H3X    C32    *C33   H3Y        1.1137  109.72 -118.17  109.87   1.1142
IC C32    C33    C34    C35        1.5449  111.12 -176.44  113.54   1.5344
IC C35    C33    *C34   H4X        1.5344  113.54 -121.87  109.02   1.1135
IC H4X    C33    *C34   H4Y        1.1135  109.02 -117.04  108.81   1.1137
IC C33    C34    C35    C36        1.5341  113.54  178.53  111.77   1.5349
IC C36    C34    *C35   H5X        1.5349  111.77 -120.78  109.03   1.1132
IC H5X    C34    *C35   H5Y        1.1132  109.03 -117.69  109.50   1.1128
IC C34    C35    C36    C37        1.5344  111.77 -176.24  113.37   1.5344
IC C37    C35    *C36   H6X        1.5344  113.37 -122.00  109.13   1.1132
IC H6X    C35    *C36   H6Y        1.1132  109.13 -117.05  108.69   1.1137
IC C35    C36    C37    C38        1.5349  113.37  177.81  111.98   1.5349
IC C38    C36    *C37   H7X        1.5349  111.98 -120.73  108.96   1.1133
IC H7X    C36    *C37   H7Y        1.1133  108.96 -117.64  109.48   1.1127
IC C36    C37    C38    C39        1.5344  111.98 -176.74  113.17   1.5344
IC C39    C37    *C38   H8X        1.5344  113.17 -121.93  109.18   1.1131
IC H8X    C37    *C38   H8Y        1.1131  109.18 -117.13  108.74   1.1137
IC C37    C38    C39    C310       1.5349  113.17  177.75  112.16   1.5348
IC C310   C38    *C39   H9X        1.5348  112.16 -120.81  108.99   1.1133
IC H9X    C38    *C39   H9Y        1.1133  108.99 -117.58  109.40   1.1128
IC C38    C39    C310   C311       1.5344  112.16 -177.62  113.02   1.5345
IC C311   C39    *C310  H10X       1.5345  113.02 -121.78  109.17   1.1131
IC H10X   C39    *C310  H10Y       1.1131  109.17 -117.21  108.84   1.1136
IC C39    C310   C311   C312       1.5348  113.02  178.36  112.30   1.5348
IC C312   C310   *C311  H11X       1.5348  112.30 -120.94  109.01   1.1133
IC H11X   C310   *C311  H11Y       1.1133  109.01 -117.52  109.31   1.1129
IC C310   C311   C312   C313       1.5345  112.30 -178.23  112.89   1.5345
IC C313   C311   *C312  H12X       1.5345  112.89 -121.63  109.15   1.1131
IC H12X   C311   *C312  H12Y       1.1131  109.15 -117.28  108.93   1.1135
IC C311   C312   C313   C314       1.5348  112.89  178.95  112.43   1.5350
IC C314   C312   *C313  H13X       1.5350  112.43 -121.07  109.04   1.1133
IC H13X   C312   *C313  H13Y       1.1133  109.04 -117.48  109.23   1.1130
IC C312   C313   C314   C315       1.5345  112.43 -178.86  112.82   1.5338
IC C315   C313   *C314  H14X       1.5338  112.82 -121.48  109.14   1.1132
IC H14X   C313   *C314  H14Y       1.1132  109.14 -117.32  109.05   1.1133
IC C313   C314   C315   C316       1.5350  112.82  179.62  113.25   1.5310
IC C316   C314   *C315  H15X       1.5310  113.25 -121.59  108.75   1.1141
IC H15X   C314   *C315  H15Y       1.1141  108.75 -116.70  108.80   1.1140
IC C314   C315   C316   H16X       1.5338  113.25  -59.74  110.45   1.1114
IC H16X   C315   *C316  H16Y       1.1114  110.45  119.85  110.46   1.1113
IC H16X   C315   *C316  H16Z       1.1114  110.45 -120.06  110.62   1.1112

RESI DPPE         0.00 ! 2,3 dipalmitoyl-D-glycero-1-Phosphatidylethanolamine
!
!  R1 - CH2
!       |          (angles and atom names from Sundaralingam)
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH2 - NH3
!
! Polar Head and glycerol backbone
GROUP                 ! 
ATOM N    NH3L  -0.30 !           HN2
ATOM HN1  HCL    0.33 !            |
ATOM HN2  HCL    0.33 !  (+) HN1---N---HN3
ATOM HN3  HCL    0.33 !            |
ATOM C12  CTL2   0.13 !            |
ATOM H12A HAL2   0.09 !     H12A--C12---H12B
ATOM H12B HAL2   0.09 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O11  OSLP  -0.57 !         / \      alpha2
ATOM O12  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2- - - - - - -
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !              beta4
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !                      HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !                      O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !                         C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !                  H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !                               gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL2  -0.18 !          |              |
ATOM H14R HAL2   0.09 !   H14R---C214--H14S
ATOM H14S HAL2   0.09 !          |              |
GROUP                 !
ATOM C215 CTL2  -0.18 !          |              |
ATOM H15R HAL2   0.09 !   H15R---C215--H15S
ATOM H15S HAL2   0.09 !          |              |
GROUP                 !
ATOM C216 CTL3  -0.27 !          |
ATOM H16R HAL3   0.09 !   H16R---C216--H16S     |
ATOM H16S HAL3   0.09 !          |
ATOM H16T HAL3   0.09 !         H16T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL2  -0.18 !                         |
ATOM H14X HAL2   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2   0.09 !                         |
GROUP                 !
ATOM C315 CTL2  -0.18 !                         |
ATOM H15X HAL2   0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2   0.09 !                         |
GROUP                 !
ATOM C316 CTL3  -0.27 !                         |
ATOM H16X HAL3   0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL3   0.09 !                         |
ATOM H16Z HAL3   0.09 !                         H16Z

! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        C1   O11
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 H16T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 H16Z

IMPR C21 O21 C22 O22   C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC N     C12   C11   O12    1.5057  110.97  -62.47  110.71   1.4270
IC HN1   C12   *N    HN2    1.0638  106.70  113.19  110.24   1.0543
IC HN1   C12   *N    HN3    1.0638  106.70 -120.35  114.80   1.0324
IC HN1   N     C12   C11    1.0638  106.70    3.91  110.97   1.5406
IC C11   N     *C12  H12A   1.5406  110.97  122.22  108.24   1.1075
IC H12A  N     *C12  H12B   1.1075  108.24  118.08  107.49   1.1112
IC O12   C12   *C11  H11A   1.4270  110.71 -118.29  108.33   1.1146
IC H11A  C12   *C11  H11B   1.1146  108.33 -116.10  110.62   1.1176
IC C12   C11   O12   P      1.5406  110.71  100.57  121.92   1.5871
IC C11   O12   P     O11    1.4270  121.92 -154.88  102.25   1.5814
IC O11   O12   *P    O13    1.5814  102.25 -118.56  109.16   1.4678
IC O11   O12   *P    O14    1.5814  102.25  113.09  104.81   1.4835
IC O12   P     O11   C1     1.5871  102.25  -23.47  121.99   1.4280
IC P     O11   C1    C2     1.5814  121.99   89.21  111.06   1.5474
IC C2    O11   *C1   HA     1.5474  111.06 -123.17  112.41   1.1160
IC HA    O11   *C1   HB     1.1160  112.41 -117.95  108.85   1.1130
IC O11   C1    C2    C3     1.4280  111.06   58.02  110.50   1.5580
IC C3    C1    *C2   O21    1.5580  110.50  122.15  107.35   1.4388
IC C3    C1    *C2   HS     1.5580  110.50 -117.62  106.68   1.1147
IC C1    C2    O21   C21    1.5474  107.35  146.88  114.92   1.3210
IC C2    O21   C21   C22    1.4388  114.92 -171.74  110.19   1.5316
IC C22   O21   *C21  O22    1.5316  110.19  176.46  125.87   1.2200
IC O21   C21   C22   C23    1.3210  110.19  -31.58  115.14   1.5479
IC C23   C21   *C22  H2R    1.5479  115.14 -122.28  107.22   1.1099
IC H2R   C21   *C22  H2S    1.1099  107.22 -116.10  106.69   1.1099
IC C1    C2    C3    O31    1.5474  110.50 -179.86  113.76   1.4446
IC O31   C2    *C3   HX     1.4446  113.76 -119.55  106.72   1.1128
IC HX    C2    *C3   HY     1.1128  106.72 -114.85  108.93   1.1152
IC C2    C3    O31   C31    1.5580  113.76   80.37  115.81   1.3230
IC C3    O31   C31   C32    1.4446  115.81  177.76  109.41   1.5249
IC C32   O31   *C31  O32    1.5249  109.41 -178.66  126.04   1.2219
IC O31   C31   C32   C33    1.3230  109.41 -162.24  111.90   1.5452
IC C33   C31   *C32  H2X    1.5452  111.90  120.83  108.03   1.1097
IC H2X   C31   *C32  H2Y    1.1097  108.03  117.34  107.97   1.1097
IC C21   C22   C23   C24    1.5316  115.14  172.56  111.78   1.5351
IC C24   C22   *C23  H3R    1.5351  111.78 -120.43  110.86   1.1141
IC H3R   C22   *C23  H3S    1.1141  110.86 -118.29  108.87   1.1110
IC C22   C23   C24   C25    1.5479  111.78  175.20  114.13   1.5388
IC C25   C23   *C24  H4R    1.5388  114.13 -122.15  109.40   1.1117
IC H4R   C23   *C24  H4S    1.1117  109.40 -116.51  108.51   1.1140
IC C23   C24   C25   C26    1.5351  114.13  -66.85  114.10   1.5388
IC C26   C24   *C25  H5R    1.5388  114.10 -119.38  107.26   1.1154
IC H5R   C24   *C25  H5S    1.1154  107.26 -116.50  110.11   1.1114
IC C24   C25   C26   C27    1.5388  114.10  100.57  113.97   1.5381
IC C27   C25   *C26  H6R    1.5381  113.97 -124.26  109.29   1.1102
IC H6R   C25   *C26  H6S    1.1102  109.29 -116.46  108.45   1.1145
IC C25   C26   C27   C28    1.5388  113.97 -177.48  113.00   1.5388
IC C28   C26   *C27  H7R    1.5388  113.00 -120.02  107.81   1.1143
IC H7R   C26   *C27  H7S    1.1143  107.81 -116.70  110.61   1.1095
IC C26   C27   C28   C29    1.5381  113.00   73.51  114.48   1.5394
IC C29   C27   *C28  H8R    1.5394  114.48  121.55  109.10   1.1131
IC H8R   C27   *C28  H8S    1.1131  109.10  116.45  108.17   1.1129
IC C27   C28   C29   C210   1.5388  114.48   75.29  113.06   1.5373
IC C210  C28   *C29  H9R    1.5373  113.06  119.46  108.33   1.1143
IC H9R   C28   *C29  H9S    1.1143  108.33  117.04  110.12   1.1106
IC C28   C29   C210  C211   1.5394  113.06 -179.99  113.53   1.5392
IC C211  C29   *C21  H10R   5.7263   24.45  -52.33   19.56   6.4218
IC H10R  C29   *C21  H10S   6.4218   19.56   -7.26   16.47   4.6680
IC C29   C210  C211  C212   1.5373  113.53  107.52  113.66   1.5393
IC C212  C210  *C21  H11R   4.5647   26.89   25.24   19.43   6.4275
IC H11R  C210  *C21  H11S   6.4275   19.43  -49.66   19.34   6.3953
IC C210  C211  C212  C213   1.5392  113.66  -67.51  114.71   1.5372
IC C213  C211  *C21  H12R   3.9020   22.44 -113.11   15.60   4.0036
IC H12R  C211  *C21  H12S   4.0036   15.60   51.31   22.29   5.1729
IC C211  C212  C213  C214   1.5393  114.71  -73.19  113.34   1.5359
IC C214  C212  *C21  H13R   5.1258   30.02  -21.12   24.58   3.1078
IC H13R  C212  *C21  H13S   3.1078   24.58   67.39   28.08   3.7253
IC C212  C213  C214  C215   1.5372  113.34  179.89  113.82   1.5359
IC C215  C213  *C21  H14R   5.2338   28.21  -55.53   17.24   5.5482
IC H14R  C213  *C21  H14S   5.5482   17.24   78.44    8.05   5.9707
IC C213  C214  C215  C216   1.5359  113.82  -66.88  113.92   1.5311
IC C216  C214  *C21  H15R   5.3823   28.19  -53.75   25.03   4.6187
IC H15R  C214  *C21  H15S   4.6187   25.03    9.17   18.56   6.2799
IC C214  C215  C216  H16R   1.5359  113.92 -178.32  110.68   1.1109
IC H16R  C215  *C21  H16S   5.8584   21.81   48.56   19.67   6.2163
IC H16R  C215  *C21  H16T   5.8584   21.81   34.57   24.54   4.5432
IC C31   C32   C33   C34    1.5249  111.90  173.88  112.09   1.5326
IC C34   C32   *C33  H3X    1.5326  112.09  121.48  110.07   1.1135
IC H3X   C32   *C33  H3Y    1.1135  110.07  118.51  109.64   1.1148
IC C32   C33   C34   C35    1.5452  112.09 -177.02  112.91   1.5371
IC C35   C33   *C34  H4X    1.5371  112.91 -122.36  108.99   1.1120
IC H4X   C33   *C34  H4Y    1.1120  108.99 -117.01  109.04   1.1140
IC C33   C34   C35   C36    1.5326  112.91  177.47  112.62   1.5375
IC C36   C34   *C35  H5X    1.5375  112.62 -119.93  108.27   1.1141
IC H5X   C34   *C35  H5Y    1.1141  108.27 -117.45  110.11   1.1117
IC C34   C35   C36   C37    1.5371  112.62   73.42  113.16   1.5383
IC C37   C35   *C36  H6X    1.5383  113.16 -122.28  107.64   1.1110
IC H6X   C35   *C36  H6Y    1.1110  107.64 -116.60  109.48   1.1132
IC C35   C36   C37   C38    1.5375  113.16 -173.58  114.67   1.5422
IC C38   C36   *C37  H7X    1.5422  114.67 -121.06  108.09   1.1138
IC H7X   C36   *C37  H7Y    1.1138  108.09 -115.65  109.43   1.1074
IC C36   C37   C38   C39    1.5383  114.67   60.50  116.34   1.5430
IC C39   C37   *C38  H8X    1.5430  116.34 -120.51  107.04   1.1150
IC H8X   C37   *C38  H8Y    1.1150  107.04 -115.94  109.39   1.1128
IC C37   C38   C39   C310   1.5422  116.34   81.64  116.19   1.5424
IC C310  C38   *C39  H9X    1.5424  116.19  118.69  107.12   1.1159
IC H9X   C38   *C39  H9Y    1.1159  107.12  115.61  110.64   1.1092
IC C38   C39   C310  C311   1.5430  116.19  -62.61  115.21   1.5371
IC C311  C39   *C31  H10X   7.2268   16.24   34.33   13.86   8.9713
IC H10X  C39   *C31  H10Y   8.9713   13.86  -48.51   13.27   9.2942
IC C39   C310  C311  C312   1.5424  115.21 -160.44  113.61   1.5376
IC C312  C310  *C31  H11X   7.5244   17.04  -67.94   12.19   7.1444
IC H11X  C310  *C31  H11Y   7.1444   12.19  116.65    2.95   6.3634
IC C310  C311  C312  C313   1.5371  113.61  100.82  114.93   1.5418
IC C313  C311  *C31  H12X   7.1363   20.81  -28.85   12.13   8.6337
IC H12X  C311  *C31  H12Y   8.6337   12.13  -24.87   17.15   7.2190
IC C311  C312  C313  C314   1.5376  114.93  -70.22  115.41   1.5381
IC C314  C312  *C31  H13X   8.0163   18.95  -52.25   16.37   7.5529
IC H13X  C312  *C31  H13Y   7.5529   16.37   30.89   13.81   6.0545
IC C312  C313  C314  C315   1.5418  115.41   92.50  114.00   1.5357
IC C315  C313  *C31  H14X   7.5706   19.91  -46.93   13.27   8.3565
IC H14X  C313  *C31  H14Y   8.3565   13.27   57.02    8.44   8.9732
IC C313  C314  C315  C316   1.5381  114.00  178.22  113.12   1.5307
IC C316  C314  *C31  H15X   8.7835   16.73  -10.98   13.46   6.6927
IC H15X  C314  *C31  H15Y   6.6927   13.46   54.64   15.58   7.4175
IC C314  C315  C316  H16X   1.5357  113.12   60.42  110.36   1.1113
IC H16X  C315  *C31  H16Y   9.6613    4.19  -21.95   13.28   8.6928
IC H16X  C315  *C31  H16Z   9.6613    4.19  -77.33   10.61   9.1221

RESI DPPS        -1.00 ! 2,3 dipalmitoyl-D-glycero-1-Phosphatidylserine
!
!  R1 - CH2        
!       |                 (-)
!  R2 - CH                CO2
!       |     (-)         |    (+)
!       CH2 - PO4 - CH2 - CH - NH3
!
! Polar Head and glycerol backbone
GROUP                  !
ATOM N    NH3L  -0.30 !           HN2
ATOM HN1  HCL    0.33 !            |
ATOM HN2  HCL    0.33 !            |
ATOM HN3  HCL    0.33 !            |
ATOM C12  CTL1   0.21 !  (+) HN1---N---HN3
ATOM H12A HBL    0.10 !            |
GROUP                 !            |     O13A (-)
ATOM C13  CCL    0.34 !            |     ||
ATOM O13A OCL   -0.67 !     H12A--C12----C13---O13B
ATOM O13B OCL   -0.67 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O12  OSLP  -0.57 !         / \      alpha2
ATOM O11  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL2  -0.18 !          |              |
ATOM H14R HAL2   0.09 !   H14R---C214--H14S
ATOM H14S HAL2   0.09 !          |              |
GROUP                 !
ATOM C215 CTL2  -0.18 !          |              |
ATOM H15R HAL2   0.09 !   H15R---C215--H15S
ATOM H15S HAL2   0.09 !          |              |
GROUP                 !
ATOM C216 CTL3  -0.27 !          |
ATOM H16R HAL3   0.09 !   H16R---C216--H16S     |
ATOM H16S HAL3   0.09 !          |
ATOM H16T HAL3   0.09 !         H16T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL2  -0.18 !                         |
ATOM H14X HAL2   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2   0.09 !                         |
GROUP                 !
ATOM C315 CTL2  -0.18 !                         |
ATOM H15X HAL2   0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2   0.09 !                         |
GROUP                 !
ATOM C316 CTL3  -0.27 !                         |
ATOM H16X HAL3   0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL3   0.09 !                         |
ATOM H16Z HAL3   0.09 !                         H16Z

! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  O13B C13       C13  C12
DOUBLE  C13 O13A
BOND  C12  H12A      C12  C11       C1   O11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 H16T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 H16Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32  C13 C12 O13B O13A

!IC table from IC generate, minimized geometry
IC N     C12   C11   O12    1.4892  109.79  -66.07  111.86   1.4332
IC N     C12   C13   O13B   1.4892  108.30  177.11  118.01   1.2553
IC HN1   C12   *N    HN2    1.0293  111.95  119.77  101.90   1.0502
IC HN1   C12   *N    HN3    1.0293  111.95 -122.92  108.25   1.0597
IC HN1   N     C12   C11    1.0293  111.95  127.72  109.79   1.5597
IC C11   N     *C12  C13    1.5597  109.79  122.24  108.30   1.5440
IC C13   N     *C12  H12A   1.5440  108.30  117.18  109.21   1.0794
IC O13B  C12   *C13  O13A   1.2553  118.01 -178.54  118.17   1.2648
IC O12   C12   *C11  H11A   1.4332  111.86 -118.46  107.28   1.1149
IC H11A  C12   *C11  H11B   1.1149  107.28 -115.37  110.30   1.1160
IC C12   C11   O12   P      1.5597  111.86   94.99  122.93   1.5835
IC C11   O12   P     O11    1.4332  122.93 -142.74  101.19   1.5825
IC O11   O12   *P    O13    1.5825  101.19 -116.49  110.28   1.4734
IC O11   O12   *P    O14    1.5825  101.19  112.69  106.84   1.4821
IC O12   P     O11   C1     1.5835  101.19  -39.85  119.07   1.4288
IC P     O11   C1    C2     1.5825  119.07 -174.92  110.29   1.5511
IC C2    O11   *C1   HA     1.5511  110.29 -120.67  110.89   1.1147
IC HA    O11   *C1   HB     1.1147  110.89 -120.35  110.50   1.1166
IC O11   C1    C2    C3     1.4288  110.29   48.35  111.17   1.5568
IC C3    C1    *C2   O21    1.5568  111.17  120.41  109.13   1.4417
IC C3    C1    *C2   HS     1.5568  111.17 -117.26  108.54   1.1162
IC C1    C2    O21   C21    1.5511  109.13   74.41  113.96   1.3221
IC C2    O21   C21   C22    1.4417  113.96 -167.99  109.53   1.5272
IC C22   O21   *C21  O22    1.5272  109.53 -179.65  126.21   1.2174
IC O21   C21   C22   C23    1.3221  109.53   64.25  112.68   1.5472
IC C23   C21   *C22  H2R    1.5472  112.68 -121.83  108.11   1.1086
IC H2R   C21   *C22  H2S    1.1086  108.11 -117.26  107.11   1.1097
IC C1    C2    C3    O31    1.5511  111.17 -177.57  112.74   1.4497
IC O31   C2    *C3   HX     1.4497  112.74 -119.77  106.93   1.1126
IC HX    C2    *C3   HY     1.1126  106.93 -114.79  109.26   1.1151
IC C2    C3    O31   C31    1.5568  112.74   84.35  114.46   1.3283
IC C3    O31   C31   C32    1.4497  114.46 -179.97  109.38   1.5308
IC C32   O31   *C31  O32    1.5308  109.38  179.93  126.01   1.2155
IC O31   C31   C32   C33    1.3283  109.38 -170.84  111.34   1.5485
IC C33   C31   *C32  H2X    1.5485  111.34  121.61  108.40   1.1087
IC H2X   C31   *C32  H2Y    1.1087  108.40  117.43  107.14   1.1088
IC C21   C22   C23   C24    1.5272  112.68  175.56  111.73   1.5363
IC C24   C22   *C23  H3R    1.5363  111.73 -120.81  110.11   1.1145
IC H3R   C22   *C23  H3S    1.1145  110.11 -117.48  109.04   1.1116
IC C22   C23   C24   C25    1.5472  111.73  173.71  114.56   1.5410
IC C25   C23   *C24  H4R    1.5410  114.56 -123.15  109.70   1.1117
IC H4R   C23   *C24  H4S    1.1117  109.70 -116.25  107.41   1.1147
IC C23   C24   C25   C26    1.5363  114.56 -101.06  113.88   1.5404
IC C26   C24   *C25  H5R    1.5404  113.88 -117.91  107.22   1.1152
IC H5R   C24   *C25  H5S    1.1152  107.22 -116.69  110.63   1.1112
IC C24   C25   C26   C27    1.5410  113.88   78.48  113.78   1.5359
IC C27   C25   *C26  H6R    1.5359  113.78 -122.82  108.25   1.1113
IC H6R   C25   *C26  H6S    1.1113  108.25 -116.47  109.24   1.1134
IC C25   C26   C27   C28    1.5404  113.78 -167.71  114.19   1.5391
IC C28   C26   *C27  H7R    1.5391  114.19 -122.39  108.82   1.1132
IC H7R   C26   *C27  H7S    1.1132  108.82 -116.22  109.45   1.1093
IC C26   C27   C28   C29    1.5359  114.19   63.84  114.54   1.5407
IC C29   C27   *C28  H8R    1.5407  114.54 -123.40  109.69   1.1120
IC H8R   C27   *C28  H8S    1.1120  109.69 -116.61  107.71   1.1148
IC C27   C28   C29   C210   1.5391  114.54   47.95  113.52   1.5387
IC C210  C28   *C29  H9R    1.5387  113.52  121.39  108.13   1.1124
IC H9R   C28   *C29  H9S    1.1124  108.13  116.73  109.70   1.1119
IC C28   C29   C210  C211   1.5407  113.52  163.36  114.10   1.5371
IC C211  C29   *C21  H10R   6.4029   22.05  -57.44   14.61   5.3325
IC H10R  C29   *C21  H10S   5.3325   14.61  103.70   10.12   4.9740
IC C29   C210  C211  C212   1.5387  114.10 -103.31  113.12   1.5385
IC C212  C210  *C21  H11R   6.8707   21.06   49.29   21.37   5.9018
IC H11R  C210  *C21  H11S   5.9018   21.37    6.40   12.59   7.3666
IC C210  C211  C212  C213   1.5371  113.12   64.11  114.92   1.5375
IC C213  C211  *C21  H12R   7.9157   17.01   58.55   15.73   7.4795
IC H12R  C211  *C21  H12S   7.4795   15.73  -29.21   19.67   6.0830
IC C211  C212  C213  C214   1.5385  114.92   72.92  113.24   1.5357
IC C214  C212  *C21  H13R   9.2399    7.09   23.37   16.22   7.6363
IC H13R  C212  *C21  H13S   7.6363   16.22   48.45   12.87   8.2194
IC C212  C213  C214  C215   1.5375  113.24  179.54  113.61   1.5368
IC C215  C213  *C21  H14R  10.3725    4.79  -62.68   11.93   9.1709
IC H14R  C213  *C21  H14S   9.1709   11.93  -59.77    8.46   9.6559
IC C213  C214  C215  C216   1.5357  113.61  -60.55  114.65   1.5327
IC C216  C214  *C21  H15R  10.8653   11.50  -58.65   11.55  10.1771
IC H15R  C214  *C21  H15S  10.1771   11.55  -14.52    4.14  11.2725
IC C214  C215  C216  H16R   1.5368  114.65 -175.03  110.26   1.1114
IC H16R  C215  *C21  H16S  11.8086    8.52    8.95   12.18  10.1775
IC H16R  C215  *C21  H16T  11.8086    8.52   49.95   10.86  11.1647
IC C31   C32   C33   C34    1.5308  111.34 -178.05  114.31   1.5377
IC C34   C32   *C33  H3X    1.5377  114.31  121.43  109.27   1.1154
IC H3X   C32   *C33  H3Y    1.1154  109.27  116.81  109.17   1.1147
IC C32   C33   C34   C35    1.5485  114.31   61.00  113.22   1.5352
IC C35   C33   *C34  H4X    1.5352  113.22 -122.19  109.81   1.1134
IC H4X   C33   *C34  H4Y    1.1134  109.81 -117.41  108.08   1.1148
IC C33   C34   C35   C36    1.5377  113.22  167.33  113.42   1.5371
IC C36   C34   *C35  H5X    1.5371  113.42 -121.19  109.26   1.1136
IC H5X   C34   *C35  H5Y    1.1136  109.26 -117.18  108.56   1.1100
IC C34   C35   C36   C37    1.5352  113.42  170.70  113.15   1.5402
IC C37   C35   *C36  H6X    1.5402  113.15 -122.74  110.16   1.1113
IC H6X   C35   *C36  H6Y    1.1113  110.16 -116.48  107.91   1.1132
IC C35   C36   C37   C38    1.5371  113.15 -107.42  114.17   1.5413
IC C38   C36   *C37  H7X    1.5413  114.17 -119.83  108.30   1.1143
IC H7X   C36   *C37  H7Y    1.1143  108.30 -116.34  109.57   1.1116
IC C36   C37   C38   C39    1.5402  114.17   57.75  115.11   1.5391
IC C39   C37   *C38  H8X    1.5391  115.11 -120.86  107.77   1.1143
IC H8X   C37   *C38  H8Y    1.1143  107.77 -116.36  109.13   1.1127
IC C37   C38   C39   C310   1.5413  115.11   66.40  114.23   1.5367
IC C310  C38   *C39  H9X    1.5367  114.23  120.97  108.85   1.1133
IC H9X   C38   *C39  H9Y    1.1133  108.85  116.45  108.65   1.1110
IC C38   C39   C310  C311   1.5391  114.23 -179.12  113.89   1.5404
IC C311  C39   *C31  H10X   6.2934   21.31  -47.35   17.01   7.4132
IC H10X  C39   *C31  H10Y   7.4132   17.01  -17.22   15.51   5.7158
IC C39   C310  C311  C312   1.5367  113.89   58.71  114.22   1.5404
IC C312  C310  *C31  H11X   5.3241   22.48  -57.41   19.30   6.1883
IC H11X  C310  *C31  H11Y   6.1883   19.30   38.38   16.93   7.3078
IC C310  C311  C312  C313   1.5404  114.22  -99.82  114.24   1.5395
IC C313  C311  *C31  H12X   6.2651   23.77   33.63   13.80   4.5403
IC H12X  C311  *C31  H12Y   4.5403   13.80  -82.82   17.81   4.9762
IC C311  C312  C313  C314   1.5404  114.24  -73.49  113.17   1.5370
IC C314  C312  *C31  H13X   7.3031   15.08   73.86   14.00   6.9234
IC H13X  C312  *C31  H13Y   6.9234   14.00  -34.30   21.82   5.8233
IC C312  C313  C314  C315   1.5395  113.17 -176.13  113.94   1.5364
IC C315  C313  *C31  H14X   8.3780   11.68  -41.53   18.01   6.9121
IC H14X  C313  *C31  H14Y   6.9121   18.01  -38.94   11.56   7.9207
IC C313  C314  C315  C316   1.5370  113.94  -63.79  114.35   1.5316
IC C316  C314  *C31  H15X   9.2795   11.54  -49.87   15.35   8.0230
IC H15X  C314  *C31  H15Y   8.0230   15.35  -34.00    8.38   9.1060
IC C314  C315  C316  H16X   1.5364  114.35 -176.22  110.44   1.1109
IC H16X  C315  *C31  H16Y  10.1379    8.04   22.11   14.30   8.8264
IC H16X  C315  *C31  H16Z  10.1379    8.04   64.08   10.71   9.7633

RESI DPPA        -1.00 ! 2,3 dipalmitoyl--D-glycero-1-Phosphatidic acid
!
!  R1 - CH2
!       |
!  R2 - CH
!       |     (-)
!       CH2 - PO4 - H
!
! Polar Head and glycerol backbone
GROUP                 !            H12
                      !            |     
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.82 !         \ /      alpha3
ATOM O14  O2L   -0.82 !          P (+)
ATOM O12  OHL   -0.68 !         / \      alpha2
ATOM H12  HOL    0.34 !   (-) O14  O11
ATOM O11  OSLP  -0.62 !            |
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL2  -0.18 !          |              |
ATOM H14R HAL2   0.09 !   H14R---C214--H14S
ATOM H14S HAL2   0.09 !          |              |
GROUP                 !
ATOM C215 CTL2  -0.18 !          |              |
ATOM H15R HAL2   0.09 !   H15R---C215--H15S
ATOM H15S HAL2   0.09 !          |              |
GROUP                 !
ATOM C216 CTL3  -0.27 !          |
ATOM H16R HAL3   0.09 !   H16R---C216--H16S     |
ATOM H16S HAL3   0.09 !          |
ATOM H16T HAL3   0.09 !         H16T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL2  -0.18 !                         |
ATOM H14X HAL2   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2   0.09 !                         |
GROUP                 !
ATOM C315 CTL2  -0.18 !                         |
ATOM H15X HAL2   0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2   0.09 !                         |
GROUP                 !
ATOM C316 CTL3  -0.27 !                         |
ATOM H16X HAL3   0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL3   0.09 !                         |
ATOM H16Z HAL3   0.09 !                         H16Z

! Polar Head
BOND  O12  P         P    O11       P    O13       P    O14
BOND  O12  H12       O11  C1
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 H16T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 H16Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC O11   P     O12   H12    1.5816  105.94 -176.82  105.36   0.9597
IC O12   O11   *P    O13    1.5645  105.94  112.01  111.41   1.4721
IC O12   O11   *P    O14    1.5645  105.94 -112.18  111.94   1.4702
IC O12   P     O11   C1     1.5645  105.94  -71.73  118.23   1.4314
IC P     O11   C1    C2     1.5816  118.23 -173.42  110.42   1.5524
IC C2    O11   *C1   HA     1.5524  110.42 -121.50  111.27   1.1146
IC HA    O11   *C1   HB     1.1146  111.27 -120.30  110.09   1.1174
IC O11   C1    C2    C3     1.4314  110.42   32.62  110.59   1.5581
IC C3    C1    *C2   O21    1.5581  110.59  120.14  109.54   1.4411
IC C3    C1    *C2   HS     1.5581  110.59 -117.28  108.89   1.1154
IC C1    C2    O21   C21    1.5524  109.54   71.21  114.13   1.3179
IC C2    O21   C21   C22    1.4411  114.13 -165.28  109.22   1.5267
IC C22   O21   *C21  O22    1.5267  109.22 -179.94  126.59   1.2185
IC O21   C21   C22   C23    1.3179  109.22   58.08  112.19   1.5464
IC C23   C21   *C22  H2R    1.5464  112.19 -121.68  108.09   1.1086
IC H2R   C21   *C22  H2S    1.1086  108.09 -117.42  107.19   1.1092
IC C1    C2    C3    O31    1.5524  110.59  168.87  113.51   1.4480
IC O31   C2    *C3   HX     1.4480  113.51 -119.34  106.36   1.1130
IC HX    C2    *C3   HY     1.1130  106.36 -114.69  109.13   1.1153
IC C2    C3    O31   C31    1.5581  113.51   77.85  114.96   1.3223
IC C3    O31   C31   C32    1.4480  114.96  179.20  108.72   1.5297
IC C32   O31   *C31  O32    1.5297  108.72 -179.17  126.48   1.2160
IC O31   C31   C32   C33    1.3223  108.72 -172.45  111.89   1.5463
IC C33   C31   *C32  H2X    1.5463  111.89  120.98  107.64   1.1092
IC H2X   C31   *C32  H2Y    1.1092  107.64  117.26  107.98   1.1084
IC C21   C22   C23   C24    1.5267  112.19  175.92  112.10   1.5352
IC C24   C22   *C23  H3R    1.5352  112.10 -121.22  110.20   1.1144
IC H3R   C22   *C23  H3S    1.1144  110.20 -117.09  109.01   1.1131
IC C22   C23   C24   C25    1.5464  112.10  169.42  113.73   1.5400
IC C25   C23   *C24  H4R    1.5400  113.73 -122.22  109.52   1.1125
IC H4R   C23   *C24  H4S    1.1125  109.52 -116.54  107.92   1.1137
IC C23   C24   C25   C26    1.5352  113.73 -105.46  113.19   1.5398
IC C26   C24   *C25  H5R    1.5398  113.19 -118.95  107.96   1.1143
IC H5R   C24   *C25  H5S    1.1143  107.96 -116.97  110.17   1.1121
IC C24   C25   C26   C27    1.5400  113.19   71.19  113.63   1.5373
IC C27   C25   *C26  H6R    1.5373  113.63 -122.19  107.57   1.1111
IC H6R   C25   *C26  H6S    1.1111  107.57 -116.44  109.54   1.1126
IC C25   C26   C27   C28    1.5398  113.63 -162.37  114.47   1.5405
IC C28   C26   *C27  H7R    1.5405  114.47 -122.52  108.53   1.1133
IC H7R   C26   *C27  H7S    1.1133  108.53 -115.83  109.51   1.1083
IC C26   C27   C28   C29    1.5373  114.47   65.65  114.87   1.5417
IC C29   C27   *C28  H8R    1.5417  114.87 -122.39  108.61   1.1125
IC H8R   C27   *C28  H8S    1.1125  108.61 -116.27  108.57   1.1124
IC C27   C28   C29   C210   1.5405  114.87   57.11  115.92   1.5430
IC C210  C28   *C29  H9R    1.5430  115.92  123.11  109.07   1.1124
IC H9R   C28   *C29  H9S    1.1124  109.07  115.74  108.00   1.1127
IC C28   C29   C210  C211   1.5417  115.92   78.72  114.95   1.5410
IC C211  C29   *C21  H10R   6.0413   22.61   59.73   18.34   6.0913
IC H10R  C29   *C21  H10S   6.0913   18.34  -12.50    7.26   4.6601
IC C29   C210  C211  C212   1.5430  114.95 -116.06  115.09   1.5417
IC C212  C210  *C21  H11R   5.1474   27.10   40.81   19.33   6.4028
IC H11R  C210  *C21  H11S   6.4028   19.33  -47.54   16.08   7.0023
IC C210  C211  C212  C213   1.5410  115.09   81.88  115.76   1.5376
IC C213  C211  *C21  H12R   5.3783   25.57   56.67   21.01   5.7167
IC H12R  C211  *C21  H12S   5.7167   21.01    1.43   11.63   4.1102
IC C211  C212  C213  C214   1.5417  115.76   62.94  113.89   1.5364
IC C214  C212  *C21  H13R   6.9012   18.22   21.04   24.57   4.9886
IC H13R  C212  *C21  H13S   4.9886   24.57  -50.12   24.50   5.1220
IC C212  C213  C214  C215   1.5376  113.89  176.97  112.59   1.5336
IC C215  C213  *C21  H14R   7.4931   12.95 -117.36    6.07   7.4528
IC H14R  C213  *C21  H14S   7.4528    6.07 -142.25    8.62   7.3321
IC C213  C214  C215  C216   1.5364  112.59 -179.50  113.24   1.5310
IC C216  C214  *C21  H15R   9.0163   10.48   19.44   17.53   7.1907
IC H15R  C214  *C21  H15S   7.1907   17.53  -48.83   17.21   7.3148
IC C214  C215  C216  H16R   1.5336  113.24 -179.96  110.42   1.1113
IC H16R  C215  *C21  H16S   9.5324    5.29 -140.37    6.28   9.4718
IC H16R  C215  *C21  H16T   9.5324    5.29  115.15    7.56   9.3749
IC C31   C32   C33   C34    1.5297  111.89  175.33  112.45   1.5336
IC C34   C32   *C33  H3X    1.5336  112.45  122.11  109.85   1.1138
IC H3X   C32   *C33  H3Y    1.1138  109.85  117.51  109.20   1.1151
IC C32   C33   C34   C35    1.5463  112.45 -176.15  112.80   1.5368
IC C35   C33   *C34  H4X    1.5368  112.80 -122.23  109.26   1.1118
IC H4X   C33   *C34  H4Y    1.1118  109.26 -117.24  108.46   1.1133
IC C33   C34   C35   C36    1.5336  112.80  172.61  113.83   1.5396
IC C36   C34   *C35  H5X    1.5396  113.83 -119.92  107.88   1.1145
IC H5X   C34   *C35  H5Y    1.1145  107.88 -116.73  109.60   1.1120
IC C34   C35   C36   C37    1.5368  113.83   69.29  114.47   1.5406
IC C37   C35   *C36  H6X    1.5406  114.47 -123.10  108.54   1.1122
IC H6X   C35   *C36  H6Y    1.1122  108.54 -115.84  108.55   1.1136
IC C35   C36   C37   C38    1.5396  114.47 -126.05  113.77   1.5406
IC C38   C36   *C37  H7X    1.5406  113.77 -120.41  108.14   1.1139
IC H7X   C36   *C37  H7Y    1.1139  108.14 -116.16  109.81   1.1106
IC C36   C37   C38   C39    1.5406  113.77   69.90  114.03   1.5380
IC C39   C37   *C38  H8X    1.5380  114.03 -121.39  108.10   1.1134
IC H8X   C37   *C38  H8Y    1.1134  108.10 -116.87  109.43   1.1126
IC C37   C38   C39   C310   1.5406  114.03   75.43  113.42   1.5362
IC C310  C38   *C39  H9X    1.5362  113.42  120.82  109.22   1.1130
IC H9X   C38   *C39  H9Y    1.1130  109.22  116.90  109.06   1.1105
IC C38   C39   C310  C311   1.5380  113.42 -162.61  114.37   1.5390
IC C311  C39   *C31  H10X   5.8375   21.27  -28.85   16.15   7.6495
IC H10X  C39   *C31  H10Y   7.6495   16.15  -32.50   18.11   6.2888
IC C39   C310  C311  C312   1.5362  114.37  -60.29  115.32   1.5386
IC C312  C310  *C31  H11X   6.6466   22.60  -54.13   18.78   6.0145
IC H11X  C310  *C31  H11Y   6.0145   18.78   47.30   11.65   4.7624
IC C310  C311  C312  C313   1.5390  115.32   92.00  113.74   1.5392
IC C313  C311  *C31  H12X   6.4082   23.72  -51.80   18.18   6.7026
IC H12X  C311  *C31  H12Y   6.7026   18.18   36.79    9.70   7.7005
IC C311  C312  C313  C314   1.5386  113.74  172.94  113.77   1.5392
IC C314  C312  *C31  H13X   7.5107   19.80   50.20   19.05   6.6388
IC H13X  C312  *C31  H13Y   6.6388   19.05  -40.41   16.81   5.4015
IC C312  C313  C314  C315   1.5392  113.77   96.33  114.54   1.5394
IC C315  C313  *C31  H14X   8.8064    7.46  -27.12   16.78   7.2510
IC H14X  C313  *C31  H14Y   7.2510   16.78  -49.46   13.25   7.8478
IC C313  C314  C315  C316   1.5392  114.54  -61.20  115.22   1.5318
IC C316  C314  *C31  H15X   9.5613   10.75  -63.75   12.84   8.7045
IC H15X  C314  *C31  H15Y   8.7045   12.84  -43.72    4.79   9.5540
IC C314  C315  C316  H16X   1.5394  115.22 -176.13  110.54   1.1109
IC H16X  C315  *C31  H16Y  10.5468    7.86    6.42   13.91   9.0878
IC H16X  C315  *C31  H16Z  10.5468    7.86   51.47   11.93   9.8230

RESI DPPG        -1.00 ! 2,3 dipalmitoyl-D-glycero-1-Phosphatidylglycerol
!
!  R1 - CH2
!       |
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH(OH) - CH2OH
!
! Polar Head and glycerol backbone
GROUP                 !
ATOM C13  CTL2   0.05 !
ATOM H13A HAL2   0.09 !           H13A
ATOM H13B HAL2   0.09 !            |
ATOM OC3  OHL   -0.65 !            |
ATOM HO3  HOL    0.42 !     H13B--C13---OC3--HO3
GROUP                 !            |
ATOM C12  CTL1   0.14 !            |
ATOM H12A HAL1   0.09 !            |
ATOM OC2  OHL   -0.65 !     H12A--C12---OC2--HO2
ATOM HO2  HOL    0.42 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O12  OSLP  -0.57 !         / \      alpha2
ATOM O11  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL2  -0.18 !          |              |
ATOM H14R HAL2   0.09 !   H14R---C214--H14S
ATOM H14S HAL2   0.09 !          |              |
GROUP                 !
ATOM C215 CTL2  -0.18 !          |              |
ATOM H15R HAL2   0.09 !   H15R---C215--H15S
ATOM H15S HAL2   0.09 !          |              |
GROUP                 !
ATOM C216 CTL3  -0.27 !          |
ATOM H16R HAL3   0.09 !   H16R---C216--H16S     |
ATOM H16S HAL3   0.09 !          |
ATOM H16T HAL3   0.09 !         H16T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL2  -0.18 !                         |
ATOM H14X HAL2   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2   0.09 !                         |
GROUP                 !
ATOM C315 CTL2  -0.18 !                         |
ATOM H15X HAL2   0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2   0.09 !                         |
GROUP                 !
ATOM C316 CTL3  -0.27 !                         |
ATOM H16X HAL3   0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL3   0.09 !                         |
ATOM H16Z HAL3   0.09 !                         H16Z

! Polar Head
BOND  HO3  OC3       OC3  C13       C13  H13A      C13  H13B      C13  C12
BOND  HO2  OC2       OC2  C12       C12  H12A      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 H16T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 H16Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC C13   C12   C11   O12    1.5516  113.86  177.39  110.94   1.4329
IC OC3   C13   C12   C11    1.4279  111.62  -65.28  113.86   1.5470
IC OC3   C12   *C13  H13A   1.4279  111.62  121.64  109.30   1.1114
IC OC3   C12   *C13  H13B   1.4279  111.62 -120.05  108.33   1.1124
IC C12   C13   OC3   HO3    1.5516  111.62  -33.25  102.56   0.9680
IC C11   C13   *C12  OC2    1.5470  113.86  121.19  110.87   1.4235
IC OC2   C13   *C12  H12A   1.4235  110.87  118.76  108.06   1.1153
IC C13   C12   OC2   HO2    1.5516  110.87 -162.63  100.60   0.9696
IC O12   C12   *C11  H11A   1.4329  110.94 -119.23  108.49   1.1130
IC H11A  C12   *C11  H11B   1.1130  108.49 -115.94  109.18   1.1161
IC C12   C11   O12   P      1.5470  110.94   93.63  120.04   1.5904
IC C11   O12   P     O11    1.4329  120.04 -164.47  101.59   1.5892
IC O11   O12   *P    O13    1.5892  101.59 -114.60  108.45   1.4755
IC O11   O12   *P    O14    1.5892  101.59  115.63  108.70   1.4781
IC O12   P     O11   C1     1.5904  101.59  -27.62  118.80   1.4303
IC P     O11   C1    C2     1.5892  118.80 -158.81  110.93   1.5511
IC C2    O11   *C1   HA     1.5511  110.93 -121.63  110.24   1.1129
IC HA    O11   *C1   HB     1.1129  110.24 -120.25  111.14   1.1186
IC O11   C1    C2    C3     1.4303  110.93   40.46  111.05   1.5560
IC C3    C1    *C2   O21    1.5560  111.05  119.58  109.27   1.4407
IC C3    C1    *C2   HS     1.5560  111.05 -118.08  109.07   1.1154
IC C1    C2    O21   C21    1.5511  109.27   68.77  114.61   1.3180
IC C2    O21   C21   C22    1.4407  114.61 -162.88  109.06   1.5280
IC C22   O21   *C21  O22    1.5280  109.06  179.13  126.56   1.2166
IC O21   C21   C22   C23    1.3180  109.06   53.17  112.18   1.5469
IC C23   C21   *C22  H2R    1.5469  112.18 -121.75  108.04   1.1082
IC H2R   C21   *C22  H2S    1.1082  108.04 -117.37  107.14   1.1094
IC C1    C2    C3    O31    1.5511  111.05  170.57  112.26   1.4479
IC O31   C2    *C3   HX     1.4479  112.26 -118.84  106.67   1.1132
IC HX    C2    *C3   HY     1.1132  106.67 -115.02  109.54   1.1151
IC C2    C3    O31   C31    1.5560  112.26   81.50  114.74   1.3253
IC C3    O31   C31   C32    1.4479  114.74 -173.33  108.08   1.5332
IC C32   O31   *C31  O32    1.5332  108.08  179.61  126.15   1.2144
IC O31   C31   C32   C33    1.3253  108.08 -177.04  113.81   1.5470
IC C33   C31   *C32  H2X    1.5470  113.81  120.66  106.88   1.1097
IC H2X   C31   *C32  H2Y    1.1097  106.88  116.70  107.98   1.1088
IC C21   C22   C23   C24    1.5280  112.18  176.06  112.34   1.5342
IC C24   C22   *C23  H3R    1.5342  112.34 -121.17  110.08   1.1143
IC H3R   C22   *C23  H3S    1.1143  110.08 -117.33  109.19   1.1136
IC C22   C23   C24   C25    1.5469  112.34  172.23  113.38   1.5396
IC C25   C23   *C24  H4R    1.5396  113.38 -121.91  109.32   1.1126
IC H4R   C23   *C24  H4S    1.1126  109.32 -116.59  108.35   1.1133
IC C23   C24   C25   C26    1.5342  113.38 -110.46  113.02   1.5385
IC C26   C24   *C25  H5R    1.5385  113.02 -119.35  108.07   1.1142
IC H5R   C24   *C25  H5S    1.1142  108.07 -116.98  110.21   1.1123
IC C24   C25   C26   C27    1.5396  113.02   71.03  113.93   1.5386
IC C27   C25   *C26  H6R    1.5386  113.93 -122.08  107.49   1.1113
IC H6R   C25   *C26  H6S    1.1113  107.49 -115.96  109.74   1.1126
IC C25   C26   C27   C28    1.5385  113.93 -147.59  113.65   1.5384
IC C28   C26   *C27  H7R    1.5384  113.65 -122.39  108.56   1.1131
IC H7R   C26   *C27  H7S    1.1131  108.56 -116.03  110.04   1.1090
IC C26   C27   C28   C29    1.5386  113.65   71.07  114.17   1.5413
IC C29   C27   *C28  H8R    1.5413  114.17 -122.30  108.62   1.1126
IC H8R   C27   *C28  H8S    1.1126  108.62 -116.50  108.97   1.1126
IC C27   C28   C29   C210   1.5384  114.17   63.16  115.43   1.5418
IC C210  C28   *C29  H9R    1.5418  115.43  121.54  108.37   1.1128
IC H9R   C28   *C29  H9S    1.1128  108.37  116.25  109.17   1.1117
IC C28   C29   C210  C211   1.5413  115.43   63.77  114.21   1.5383
IC C211  C29   *C21  H10R   5.7002   24.22   61.29   19.31   5.4148
IC H10R  C29   *C21  H10S   5.4148   19.31  -45.05    6.15   4.1763
IC C29   C210  C211  C212   1.5418  114.21 -100.84  113.98   1.5369
IC C212  C210  *C21  H11R   5.2218   28.62   50.44   22.04   5.7557
IC H11R  C210  *C21  H11S   5.7557   22.04  -37.21   14.50   6.7798
IC C210  C211  C212  C213   1.5383  113.98 -177.16  114.12   1.5399
IC C213  C211  *C21  H12R   6.2275   24.49  -10.79   18.11   4.1637
IC H12R  C211  *C21  H12S   4.1637   18.11  -40.97   22.34   5.4886
IC C211  C212  C213  C214   1.5369  114.12  -62.39  113.99   1.5381
IC C214  C212  *C21  H13R   7.6683    7.46   34.04   19.37   6.2621
IC H13R  C212  *C21  H13S   6.2621   19.37  -51.02   19.78   6.1349
IC C212  C213  C214  C215   1.5399  113.99  100.10  113.99   1.5357
IC C215  C213  *C21  H14R   8.5188    9.30  155.53    5.65   8.2786
IC H14R  C213  *C21  H14S   8.2786    5.65  -74.03   12.62   7.7720
IC C213  C214  C215  C216   1.5381  113.99 -177.56  112.99   1.5303
IC C216  C214  *C21  H15R   9.9341    7.78  -54.23   13.51   8.6789
IC H15R  C214  *C21  H15S   8.6789   13.51   47.42   15.44   8.1446
IC C214  C215  C216  H16R   1.5357  112.99   60.73  110.35   1.1114
IC H16R  C215  *C21  H16S  10.0022    9.94  -71.95    4.09  10.5937
IC H16R  C215  *C21  H16T  10.0022    9.94   70.49    6.25  10.4440
IC C31   C32   C33   C34    1.5332  113.81  -69.76  113.48   1.5379
IC C34   C32   *C33  H3X    1.5379  113.48 -120.04  107.81   1.1134
IC H3X   C32   *C33  H3Y    1.1134  107.81 -116.77  110.11   1.1132
IC C32   C33   C34   C35    1.5470  113.48 -174.70  113.05   1.5388
IC C35   C33   *C34  H4X    1.5388  113.05 -119.75  108.33   1.1150
IC H4X   C33   *C34  H4Y    1.1150  108.33 -117.08  109.89   1.1110
IC C33   C34   C35   C36    1.5379  113.05   78.95  113.54   1.5371
IC C36   C34   *C35  H5X    1.5371  113.54 -121.79  108.12   1.1132
IC H5X   C34   *C35  H5Y    1.1132  108.12 -116.65  109.34   1.1131
IC C34   C35   C36   C37    1.5388  113.54   79.35  112.97   1.5380
IC C37   C35   *C36  H6X    1.5380  112.97 -122.73  108.56   1.1104
IC H6X   C35   *C36  H6Y    1.1104  108.56 -116.99  109.20   1.1133
IC C35   C36   C37   C38    1.5371  112.97 -169.78  113.78   1.5391
IC C38   C36   *C37  H7X    1.5391  113.78 -121.49  108.40   1.1136
IC H7X   C36   *C37  H7Y    1.1136  108.40 -116.03  109.71   1.1109
IC C36   C37   C38   C39    1.5380  113.78   63.43  114.72   1.5407
IC C39   C37   *C38  H8X    1.5407  114.72 -122.16  108.70   1.1128
IC H8X   C37   *C38  H8Y    1.1128  108.70 -116.71  108.42   1.1134
IC C37   C38   C39   C310   1.5391  114.72   57.40  113.74   1.5377
IC C310  C38   *C39  H9X    1.5377  113.74  121.23  108.61   1.1128
IC H9X   C38   *C39  H9Y    1.1128  108.61  116.24  109.15   1.1087
IC C38   C39   C310  C311   1.5407  113.74  177.22  114.38   1.5396
IC C311  C39   *C31  H10X   6.7302   21.15  -51.66   12.25   5.4275
IC H10X  C39   *C31  H10Y   5.4275   12.25   -2.84   17.29   7.1341
IC C39   C310  C311  C312   1.5377  114.38   98.32  114.24   1.5401
IC C312  C310  *C31  H11X   5.7098   23.45    8.45   15.08   7.6585
IC H11X  C310  *C31  H11Y   7.6585   15.08  -47.85   17.43   7.1025
IC C310  C311  C312  C313   1.5396  114.24  -72.50  116.35   1.5390
IC C313  C311  *C31  H12X   5.6215   22.21  -78.42    9.29   4.7736
IC H12X  C311  *C31  H12Y   4.7736    9.29   19.65   18.78   6.2615
IC C311  C312  C313  C314   1.5401  116.35  -73.79  114.08   1.5401
IC C314  C312  *C31  H13X   7.0335   20.16   38.94   22.48   5.4367
IC H13X  C312  *C31  H13Y   5.4367   22.48  -52.01   21.71   4.9428
IC C312  C313  C314  C315   1.5390  114.08   98.09  114.78   1.5367
IC C315  C313  *C31  H14X   8.0336    8.09  -74.65   14.63   7.0784
IC H14X  C313  *C31  H14Y   7.0784   14.63  -65.72    8.61   7.5607
IC C313  C314  C315  C316   1.5401  114.78   70.46  113.76   1.5324
IC C316  C314  *C31  H15X   7.9760   18.37   14.50    5.89   9.0340
IC H15X  C314  *C31  H15Y   9.0340    5.89   40.94   14.15   8.1542
IC C314  C315  C316  H16X   1.5367  113.76  178.55  110.62   1.1105
IC H16X  C315  *C31  H16Y   8.9048   13.62  -43.76   15.54   8.1029
IC H16X  C315  *C31  H16Z   8.9048   13.62    0.25   15.11   7.1178

RESI DSPC         0.00 ! 2,3 distearoyl-D-glycero-1-Phosphatidylcholine
!
!  R1 - CH2
!       |          (angles and atom names from Sundaralingam)
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH2 - N(CH3)3
!
! Polar Head and glycerol backbone
GROUP                 !          H15B
ATOM N    NTL   -0.60 !            |
ATOM C13  CTL5  -0.35 !      H15A-C15-H15C
ATOM H13A HL     0.25 !            |
ATOM H13B HL     0.25 !    H13B    |    H14A
ATOM H13C HL     0.25 !      |     |     |
ATOM C14  CTL5  -0.35 !H13A-C13----N----C14-H14B     (+)
ATOM H14A HL     0.25 !      |     |     |
ATOM H14B HL     0.25 !    H13C    |    H14C
ATOM H14C HL     0.25 !            |
ATOM C15  CTL5  -0.35 !            |
ATOM H15A HL     0.25 !            |    alpha6
ATOM H15B HL     0.25 !            |
ATOM H15C HL     0.25 !            |
ATOM C12  CTL2  -0.10 !     H12A--C12---H12B
ATOM H12A HL     0.25 !            |
ATOM H12B HL     0.25 !            |
GROUP                 !                  alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O11  OSLP  -0.57 !         / \      alpha2
ATOM O12  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2- - - - - - -
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !              beta4
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !                      HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !                      O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !                         C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !                  H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !                               gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL2  -0.18 !          |              |
ATOM H14R HAL2   0.09 !   H14R---C214--H14S
ATOM H14S HAL2   0.09 !          |              |
GROUP                 !
ATOM C215 CTL2  -0.18 !          |              |
ATOM H15R HAL2   0.09 !   H15R---C215--H15S
ATOM H15S HAL2   0.09 !          |              |
GROUP                 !
ATOM C216 CTL2  -0.18 !          |              |
ATOM H16R HAL2   0.09 !   H16R---C216--H16S
ATOM H16S HAL2   0.09 !          |              |
GROUP                 !
ATOM C217 CTL2  -0.18 !          |              |
ATOM H17R HAL2   0.09 !   H17R---C217--H17S
ATOM H17S HAL2   0.09 !          |              |
GROUP                 !
ATOM C218 CTL3  -0.27 !          |
ATOM H18R HAL3   0.09 !   H18R---C218--H18S     |
ATOM H18S HAL3   0.09 !          |
ATOM H18T HAL3   0.09 !         H18T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL2  -0.18 !                         |
ATOM H14X HAL2   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2   0.09 !                         |
GROUP                 !
ATOM C315 CTL2  -0.18 !                         |
ATOM H15X HAL2   0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2   0.09 !                         |
GROUP                 !
ATOM C316 CTL2  -0.18 !                         |
ATOM H16X HAL2   0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL2   0.09 !                         |
GROUP                 !
ATOM C317 CTL2  -0.18 !                         |
ATOM H17X HAL2   0.09 !                  H17X---C317--H17Y
ATOM H17Y HAL2   0.09 !                         |
GROUP                 !
ATOM C318 CTL3  -0.27 !                         |
ATOM H18X HAL3   0.09 !                  H18X---C318--H18Y
ATOM H18Y HAL3   0.09 !                         |
ATOM H18Z HAL3   0.09 !                         H18Z

! Polar Head
BOND  N    C13       N    C14       N    C15
BOND  C13  H13A      C13  H13B      C13  H13C
BOND  C14  H14A      C14  H14B      C14  H14C
BOND  C15  H15A      C15  H15B      C15  H15C
BOND  N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        C1   O11
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z

IMPR C21 O21 C22 O22   C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC C13   N     C12   C11    1.4955  110.70  -56.80  116.85   1.5412
IC C13   C12   *N    C14    1.4955  110.70 -122.78  109.57   1.4976
IC C13   C12   *N    C15    1.4955  110.70  119.79  108.07   1.5033
IC C12   N     C13   H13A   1.5226  110.70   58.81  109.31   1.0869
IC H13A  N     *C13  H13B   1.0869  109.31 -118.98  111.34   1.0812
IC H13A  N     *C13  H13C   1.0869  109.31  118.94  111.15   1.0812
IC C12   N     C14   H14A   1.5226  109.57   61.55  111.51   1.0812
IC H14A  N     *C14  H14B   1.0812  111.51 -119.73  109.64   1.0879
IC H14A  N     *C14  H14C   1.0812  111.51  121.59  110.93   1.0818
IC C12   N     C15   H15A   1.5226  108.07 -179.78  113.90   1.0739
IC H15A  N     *C15  H15B   1.0739  113.90 -123.64  110.27   1.0942
IC H15A  N     *C15  H15C   1.0739  113.90  123.94  111.08   1.0953
IC C11   N     *C12  H12A   1.5412  116.85 -117.44  108.15   1.0975
IC H12A  N     *C12  H12B   1.0975  108.15 -116.18  111.87   1.0788
IC N     C12   C11   O12    1.5226  116.85 -127.15  108.28   1.4233
IC O12   C12   *C11  H11A   1.4233  108.28 -118.23  109.14   1.1127
IC H11A  C12   *C11  H11B   1.1127  109.14 -118.67  113.18   1.1138
IC C12   C11   O12   P      1.5412  108.28   68.39  118.29   1.5879
IC C11   O12   P     O11    1.4233  118.29  167.38  103.42   1.5759
IC O11   O12   *P    O13    1.5759  103.42 -118.26  108.05   1.4788
IC O11   O12   *P    O14    1.5759  103.42  116.47  106.46   1.4811
IC O12   P     O11   C1     1.5879  103.42   52.34  120.65   1.4314
IC P     O11   C1    C2     1.5759  120.65  108.46  110.89   1.5522
IC C2    O11   *C1   HA     1.5522  110.89 -124.25  114.00   1.1163
IC HA    O11   *C1   HB     1.1163  114.00 -118.44  107.67   1.1130
IC O11   C1    C2    C3     1.4314  110.89   35.51  110.44   1.5598
IC C3    C1    *C2   O21    1.5598  110.44  120.20  109.63   1.4412
IC C3    C1    *C2   HS     1.5598  110.44 -117.26  109.38   1.1161
IC C1    C2    O21   C21    1.5522  109.63   73.45  114.76   1.3198
IC C2    O21   C21   C22    1.4412  114.76 -174.95  108.98   1.5271
IC C22   O21   *C21  O22    1.5271  108.98 -179.21  126.54   1.2165
IC O21   C21   C22   C23    1.3198  108.98   69.17  112.12   1.5454
IC C23   C21   *C22  H2R    1.5454  112.12 -120.86  107.49   1.1097
IC H2R   C21   *C22  H2S    1.1097  107.49 -117.26  107.96   1.1085
IC C1    C2    C3    O31    1.5522  110.44  158.49  113.28   1.4449
IC O31   C2    *C3   HX     1.4449  113.28 -118.50  106.51   1.1127
IC HX    C2    *C3   HY     1.1127  106.51 -115.10  109.35   1.1145
IC C2    C3    O31   C31    1.5598  113.28   76.61  115.36   1.3217
IC C3    O31   C31   C32    1.4449  115.36 -172.28  108.03   1.5292
IC C32   O31   *C31  O32    1.5292  108.03  178.61  126.37   1.2165
IC O31   C31   C32   C33    1.3217  108.03 -171.00  113.43   1.5450
IC C33   C31   *C32  H2X    1.5450  113.43  122.58  108.40   1.1090
IC H2X   C31   *C32  H2Y    1.1090  108.40  116.71  106.78   1.1104
IC C21   C22   C23   C24    1.5271  112.12   69.99  112.82   1.5359
IC C24   C22   *C23  H3R    1.5359  112.82  119.77  107.99   1.1130
IC H3R   C22   *C23  H3S    1.1130  107.99  116.99  110.26   1.1137
IC C22   C23   C24   C25    1.5454  112.82 -176.22  114.43   1.5405
IC C25   C23   *C24  H4R    1.5405  114.43 -122.37  109.02   1.1132
IC H4R   C23   *C24  H4S    1.1132  109.02 -116.84  108.99   1.1144
IC C23   C24   C25   C26    1.5359  114.43  -62.74  114.59   1.5386
IC C26   C24   *C25  H5R    1.5386  114.59 -119.80  107.07   1.1148
IC H5R   C24   *C25  H5S    1.1148  107.07 -116.11  110.00   1.1120
IC C24   C25   C26   C27    1.5405  114.59   95.68  113.38   1.5385
IC C27   C25   *C26  H6R    1.5385  113.38 -124.77  109.24   1.1094
IC H6R   C25   *C26  H6S    1.1094  109.24 -116.24  108.54   1.1145
IC C25   C26   C27   C28    1.5386  113.38 -174.63  114.01   1.5386
IC C28   C26   *C27  H7R    1.5386  114.01 -120.04  107.07   1.1147
IC H7R   C26   *C27  H7S    1.1147  107.07 -116.29  110.97   1.1103
IC C26   C27   C28   C29    1.5385  114.01   96.11  114.10   1.5403
IC C29   C27   *C28  H8R    1.5403  114.10 -125.01  110.20   1.1112
IC H8R   C27   *C28  H8S    1.1112  110.20 -116.63  107.50   1.1156
IC C27   C28   C29   C210   1.5386  114.10  -70.59  114.34   1.5367
IC C210  C28   *C29  H9R    1.5367  114.34  123.15  108.85   1.1111
IC H9R   C28   *C29  H9S    1.1111  108.85  116.35  108.32   1.1138
IC C28   C29   C210  C211   1.5403  114.34 -176.59  113.89   1.5391
IC C211  C29   *C21  H10R   7.1231   20.94   42.49   14.87   5.5936
IC H10R  C29   *C21  H10S   5.5936   14.87   10.84   17.04   7.3386
IC C29   C210  C211  C212   1.5367  113.89  -98.43  114.36   1.5411
IC C212  C210  *C21  H11R   6.2296   22.93   34.20   15.26   7.6660
IC H11R  C210  *C21  H11S   7.6660   15.26  -53.30   13.69   7.9695
IC C210  C211  C212  C213   1.5391  114.36   67.22  115.66   1.5396
IC C213  C211  *C21  H12R   5.7976   20.12   51.93   17.64   6.9765
IC H12R  C211  *C21  H12S   6.9765   17.64   28.99   12.82   5.4620
IC C211  C212  C213  C214   1.5411  115.66   59.27  115.02   1.5394
IC C214  C212  *C21  H13R   7.1149   21.13   35.81   19.89   5.4204
IC H13R  C212  *C21  H13S   5.4204   19.89  -60.20   19.14   5.1386
IC C212  C213  C214  C215   1.5396  115.02   55.26  113.95   1.5372
IC C215  C213  *C21  H14R   8.2302    7.12  -58.84   15.96   7.0385
IC H14R  C213  *C21  H14S   7.0385   15.96  -56.69   10.60   7.5967
IC C213  C214  C215  C216   1.5394  113.95  168.57  113.50   1.5392
IC C216  C214  *C21  H15R   9.4760    7.13   34.44   15.27   7.9557
IC H15R  C214  *C21  H15S   7.9557   15.27   48.78   11.46   8.6265
IC C214  C215  C216  C217   1.5372  113.50   58.84  114.80   1.5388
IC C217  C215  *C21  H16R  10.1942   10.61   97.74    4.71  10.2620
IC H16R  C215  *C21  H16S  10.2620    4.71  -36.58   12.30   9.3186
IC C215  C216  C217  C218   1.5392  114.80   58.51  114.57   1.5326
IC C218  C216  *C21  H17R  10.7326   12.86   60.03    7.85  11.1201
IC H17R  C216  *C21  H17S  11.1201    7.85  -11.50   13.03   9.6379
IC C216  C217  C218  H18R   1.5388  114.57  176.51  110.53   1.1110
IC H18R  C217  *C21  H18S  11.4218    9.61  -56.04    9.75  11.3848
IC H18R  C217  *C21  H18T  11.4218    9.61  -27.02   12.39   9.9809
IC C31   C32   C33   C34    1.5292  113.43 -170.28  111.21   1.5332
IC C34   C32   *C33  H3X    1.5332  111.21  120.10  110.03   1.1147
IC H3X   C32   *C33  H3Y    1.1147  110.03  118.23  109.81   1.1132
IC C32   C33   C34   C35    1.5450  111.21 -176.05  113.54   1.5351
IC C35   C33   *C34  H4X    1.5351  113.54 -121.74  108.36   1.1123
IC H4X   C33   *C34  H4Y    1.1123  108.36 -116.85  109.27   1.1133
IC C33   C34   C35   C36    1.5332  113.54 -173.08  112.41   1.5369
IC C36   C34   *C35  H5X    1.5369  112.41 -120.59  108.12   1.1137
IC H5X   C34   *C35  H5Y    1.1137  108.12 -117.34  110.07   1.1123
IC C34   C35   C36   C37    1.5351  112.41   79.92  112.93   1.5377
IC C37   C35   *C36  H6X    1.5377  112.93 -122.78  108.85   1.1112
IC H6X   C35   *C36  H6Y    1.1112  108.85 -117.00  109.19   1.1136
IC C35   C36   C37   C38    1.5369  112.93 -171.43  113.51   1.5370
IC C38   C36   *C37  H7X    1.5370  113.51  123.17  110.47   1.1090
IC H7X   C36   *C37  H7Y    1.1090  110.47  116.35  107.70   1.1141
IC C36   C37   C38   C39    1.5377  113.51   74.76  115.02   1.5420
IC C39   C37   *C38  H8X    1.5420  115.02 -122.14  108.20   1.1135
IC H8X   C37   *C38  H8Y    1.1135  108.20 -116.32  108.91   1.1135
IC C37   C38   C39   C310   1.5370  115.02   72.40  114.50   1.5419
IC C310  C38   *C39  H9X    1.5419  114.50  118.03  106.48   1.1158
IC H9X   C38   *C39  H9Y    1.1158  106.48  115.69  110.84   1.1079
IC C38   C39   C310  C311   1.5420  114.50  -99.06  115.90   1.5416
IC C311  C39   *C31  H10X   6.8537   16.35  -47.51   15.02   8.2809
IC H10X  C39   *C31  H10Y   8.2809   15.02   45.06   13.76   8.9732
IC C39   C310  C311  C312   1.5419  115.90  -66.87  114.14   1.5385
IC C312  C310  *C31  H11X   6.9998   17.92  -66.08   14.32   7.0432
IC H11X  C310  *C31  H11Y   7.0432   14.32    9.50    2.06   5.9099
IC C310  C311  C312  C313   1.5416  114.14  108.65  113.68   1.5372
IC C313  C311  *C31  H12X   6.1447   21.99  -11.70   13.99   8.0543
IC H12X  C311  *C31  H12Y   8.0543   13.99  -38.85   17.95   7.0221
IC C311  C312  C313  C314   1.5385  113.68 -177.98  113.55   1.5390
IC C314  C312  *C31  H13X   6.8448   21.39   56.07   17.96   6.2856
IC H13X  C312  *C31  H13Y   6.2856   17.96  -47.40    9.31   5.0804
IC C312  C313  C314  C315   1.5372  113.55   98.22  114.39   1.5413
IC C315  C313  *C31  H14X   7.9680   15.09  -29.43   20.13   6.2085
IC H14X  C313  *C31  H14Y   6.2085   20.13  -34.32   15.21   7.4001
IC C313  C314  C315  C316   1.5390  114.39  -61.32  115.57   1.5384
IC C316  C314  *C31  H15X   9.0929    9.58  -86.80   10.31   8.5276
IC H15X  C314  *C31  H15Y   8.5276   10.31   43.88   15.99   7.6401
IC C314  C315  C316  C317   1.5413  115.57  -64.76  113.97   1.5352
IC C317  C315  *C31  H16X   9.9401   10.70  -53.64   13.82   8.7951
IC H16X  C315  *C31  H16Y   8.7951   13.82  -34.11    6.99   9.8471
IC C315  C316  C317  C318   1.5384  113.97  179.24  112.97   1.5312
IC C318  C316  *C31  H17X  11.1416    8.71   70.01   10.20  10.4005
IC H17X  C316  *C31  H17Y  10.4005   10.20  -40.43   13.37   9.3984
IC C316  C317  C318  H18X   1.5352  112.97 -179.62  110.67   1.1109
IC H18X  C317  *C31  H18Y  11.8049    6.04  -45.75   10.81  10.8979
IC H18X  C317  *C31  H18Z  11.8049    6.04  -92.16    6.14  11.7909

RESI DSPE         0.00 ! 2,3-distearoyl-D-glycero-1-Phosphatidylethanolamine
!
!  R1 - CH2
!       |          (angles and atom names from Sundaralingam)
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH2 - NH3
!
! Polar Head and glycerol backbone
GROUP                 ! 
ATOM N    NH3L  -0.30 !           HN2
ATOM HN1  HCL    0.33 !            |
ATOM HN2  HCL    0.33 !  (+) HN1---N---HN3
ATOM HN3  HCL    0.33 !            |
ATOM C12  CTL2   0.13 !            |
ATOM H12A HAL2   0.09 !     H12A--C12---H12B
ATOM H12B HAL2   0.09 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O11  OSLP  -0.57 !         / \      alpha2
ATOM O12  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2- - - - - - -
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !              beta4
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !                      HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !                      O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !                         C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !                  H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !                               gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL2  -0.18 !          |              |
ATOM H14R HAL2   0.09 !   H14R---C214--H14S
ATOM H14S HAL2   0.09 !          |              |
GROUP                 !
ATOM C215 CTL2  -0.18 !          |              |
ATOM H15R HAL2   0.09 !   H15R---C215--H15S
ATOM H15S HAL2   0.09 !          |              |
GROUP                 !
ATOM C216 CTL2  -0.18 !          |              |
ATOM H16R HAL2   0.09 !   H16R---C216--H16S
ATOM H16S HAL2   0.09 !          |              |
GROUP                 !
ATOM C217 CTL2  -0.18 !          |              |
ATOM H17R HAL2   0.09 !   H17R---C217--H17S
ATOM H17S HAL2   0.09 !          |              |
GROUP                 !
ATOM C218 CTL3  -0.27 !          |
ATOM H18R HAL3   0.09 !   H18R---C218--H18S     |
ATOM H18S HAL3   0.09 !          |
ATOM H18T HAL3   0.09 !         H18T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL2  -0.18 !                         |
ATOM H14X HAL2   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2   0.09 !                         |
GROUP                 !
ATOM C315 CTL2  -0.18 !                         |
ATOM H15X HAL2   0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2   0.09 !                         |
GROUP                 !
ATOM C316 CTL2  -0.18 !                         |
ATOM H16X HAL2   0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL2   0.09 !                         |
GROUP                 !
ATOM C317 CTL2  -0.18 !                         |
ATOM H17X HAL2   0.09 !                  H17X---C317--H17Y
ATOM H17Y HAL2   0.09 !                         |
GROUP                 !
ATOM C318 CTL3  -0.27 !                         |
ATOM H18X HAL3   0.09 !                  H18X---C318--H18Y
ATOM H18Y HAL3   0.09 !                         |
ATOM H18Z HAL3   0.09 !                         H18Z

! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        C1   O11
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z

IMPR C21 O21 C22 O22   C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC N     C12   C11   O12    1.5054  110.81  -64.44  110.62   1.4250
IC HN1   C12   *N    HN2    1.0639  106.37  113.30  110.46   1.0532
IC HN1   C12   *N    HN3    1.0639  106.37 -119.69  114.82   1.0325
IC HN1   N     C12   C11    1.0639  106.37    7.83  110.81   1.5396
IC C11   N     *C12  H12A   1.5396  110.81  122.06  108.20   1.1072
IC H12A  N     *C12  H12B   1.1072  108.20  118.24  107.69   1.1119
IC O12   C12   *C11  H11A   1.4250  110.62 -117.83  107.89   1.1149
IC H11A  C12   *C11  H11B   1.1149  107.89 -116.49  111.07   1.1174
IC C12   C11   O12   P      1.5396  110.62   99.60  122.72   1.5835
IC C11   O12   P     O11    1.4250  122.72 -154.10  101.81   1.5812
IC O11   O12   *P    O13    1.5812  101.81 -118.50  109.49   1.4707
IC O11   O12   *P    O14    1.5812  101.81  113.02  104.96   1.4818
IC O12   P     O11   C1     1.5835  101.81  -19.40  121.73   1.4292
IC P     O11   C1    C2     1.5812  121.73   92.19  111.43   1.5499
IC C2    O11   *C1   HA     1.5499  111.43 -124.00  112.69   1.1159
IC HA    O11   *C1   HB     1.1159  112.69 -117.54  108.40   1.1129
IC O11   C1    C2    C3     1.4292  111.43   52.07  110.92   1.5571
IC C3    C1    *C2   O21    1.5571  110.92  120.79  107.73   1.4415
IC C3    C1    *C2   HS     1.5571  110.92 -116.43  107.80   1.1144
IC C1    C2    O21   C21    1.5499  107.73   97.93  114.67   1.3257
IC C2    O21   C21   C22    1.4415  114.67 -161.60  110.82   1.5355
IC C22   O21   *C21  O22    1.5355  110.82  178.51  125.51   1.2182
IC O21   C21   C22   C23    1.3257  110.82    2.52  115.63   1.5494
IC C23   C21   *C22  H2R    1.5494  115.63 -123.54  107.99   1.1083
IC H2R   C21   *C22  H2S    1.1083  107.99 -115.52  106.07   1.1104
IC C1    C2    C3    O31    1.5499  110.92 -179.89  113.29   1.4461
IC O31   C2    *C3   HX     1.4461  113.29 -119.86  107.00   1.1130
IC HX    C2    *C3   HY     1.1130  107.00 -115.09  109.03   1.1146
IC C2    C3    O31   C31    1.5571  113.29   78.32  116.32   1.3191
IC C3    O31   C31   C32    1.4461  116.32  178.69  109.23   1.5253
IC C32   O31   *C31  O32    1.5253  109.23 -179.86  126.12   1.2226
IC O31   C31   C32   C33    1.3191  109.23 -176.72  112.67   1.5444
IC C33   C31   *C32  H2X    1.5444  112.67  120.67  108.11   1.1095
IC H2X   C31   *C32  H2Y    1.1095  108.11  117.33  108.00   1.1097
IC C21   C22   C23   C24    1.5355  115.63  167.97  112.07   1.5370
IC C24   C22   *C23  H3R    1.5370  112.07 -120.30  110.30   1.1144
IC H3R   C22   *C23  H3S    1.1144  110.30 -118.02  109.32   1.1117
IC C22   C23   C24   C25    1.5494  112.07  172.79  113.43   1.5399
IC C25   C23   *C24  H4R    1.5399  113.43 -122.81  109.71   1.1124
IC H4R   C23   *C24  H4S    1.1124  109.71 -116.61  108.00   1.1147
IC C23   C24   C25   C26    1.5370  113.43 -105.08  114.10   1.5399
IC C26   C24   *C25  H5R    1.5399  114.10 -119.16  108.33   1.1146
IC H5R   C24   *C25  H5S    1.1146  108.33 -116.56  109.85   1.1116
IC C24   C25   C26   C27    1.5399  114.10   61.38  114.78   1.5373
IC C27   C25   *C26  H6R    1.5373  114.78 -121.11  107.98   1.1143
IC H6R   C25   *C26  H6S    1.1143  107.98 -116.46  109.04   1.1134
IC C25   C26   C27   C28    1.5399  114.78   69.30  113.73   1.5377
IC C28   C26   *C27  H7R    1.5377  113.73 -123.44  109.11   1.1107
IC H7R   C26   *C27  H7S    1.1107  109.11 -116.43  108.46   1.1138
IC C26   C27   C28   C29    1.5373  113.73 -176.54  113.06   1.5388
IC C29   C27   *C28  H8R    1.5388  113.06 -120.36  108.08   1.1137
IC H8R   C27   *C28  H8S    1.1137  108.08 -116.82  110.24   1.1102
IC C27   C28   C29   C210   1.5377  113.06   75.17  113.98   1.5401
IC C210  C28   *C29  H9R    1.5401  113.98  121.85  109.12   1.1119
IC H9R   C28   *C29  H9S    1.1119  109.12  116.41  108.30   1.1130
IC C28   C29   C210  C211   1.5388  113.98   74.22  114.07   1.5396
IC C211  C29   *C21  H10R   4.4594   22.26  106.42   13.19   4.2538
IC H10R  C29   *C21  H10S   4.2538   13.19  -44.65   20.92   5.5377
IC C29   C210  C211  C212   1.5401  114.07   74.48  114.17   1.5394
IC C212  C210  *C21  H11R   5.7370   26.71  -43.94   26.06   4.3337
IC H11R  C210  *C21  H11S   4.3337   26.06   58.74   23.68   3.6429
IC C210  C211  C212  C213   1.5396  114.17   75.53  113.57   1.5391
IC C213  C211  *C21  H12R   6.2281   20.46  -69.22    4.30   6.6025
IC H12R  C211  *C21  H12S   6.6025    4.30    6.63   19.11   5.8129
IC C211  C212  C213  C214   1.5394  113.57 -128.33  114.27   1.5368
IC C214  C212  *C21  H13R   7.6797   14.74  -45.98   19.75   6.3480
IC H13R  C212  *C21  H13S   6.3480   19.75   45.32   22.01   5.6795
IC C212  C213  C214  C215   1.5391  114.27   72.46  113.01   1.5349
IC C215  C213  *C21  H14R   7.9882   15.16   80.67    5.40   8.2965
IC H14R  C213  *C21  H14S   8.2965    5.40 -157.79    7.33   8.1934
IC C213  C214  C215  C216   1.5368  113.01 -179.87  113.02   1.5353
IC C216  C214  *C21  H15R   9.5153   11.99   27.19   16.25   7.6796
IC H15R  C214  *C21  H15S   7.6796   16.25  -49.60   16.28   7.5984
IC C214  C215  C216  C217   1.5349  113.02 -170.82  113.33   1.5367
IC C217  C215  *C21  H16R  10.0979    9.33 -107.29    5.81   9.9636
IC H16R  C215  *C21  H16S   9.9636    5.81 -138.71    5.22   9.9997
IC C215  C216  C217  C218   1.5353  113.33  -58.20  114.49   1.5322
IC C218  C216  *C21  H17R   9.8608   15.17  -28.86    7.53  11.2017
IC H17R  C216  *C21  H17S  11.2017    7.53  -24.53   12.65   9.8767
IC C216  C217  C218  H18R   1.5367  114.49  -55.85  110.42   1.1111
IC H18R  C217  *C21  H18S  10.2135   12.33  -34.25   10.81   8.8234
IC H18R  C217  *C21  H18T  10.2135   12.33  -47.94   11.88  10.5572
IC C31   C32   C33   C34    1.5253  112.67 -178.48  111.44   1.5322
IC C34   C32   *C33  H3X    1.5322  111.44  121.03  110.47   1.1134
IC H3X   C32   *C33  H3Y    1.1134  110.47  118.71  109.62   1.1142
IC C32   C33   C34   C35    1.5444  111.44 -173.46  112.99   1.5348
IC C35   C33   *C34  H4X    1.5348  112.99  120.79  108.93   1.1139
IC H4X   C33   *C34  H4Y    1.1139  108.93  116.97  109.06   1.1123
IC C33   C34   C35   C36    1.5322  112.99  178.22  112.64   1.5365
IC C36   C34   *C35  H5X    1.5365  112.64 -119.93  108.26   1.1143
IC H5X   C34   *C35  H5Y    1.1143  108.26 -117.45  109.95   1.1120
IC C34   C35   C36   C37    1.5348  112.64   74.92  113.45   1.5375
IC C37   C35   *C36  H6X    1.5375  113.45 -122.56  108.47   1.1122
IC H6X   C35   *C36  H6Y    1.1122  108.47 -116.76  109.02   1.1136
IC C35   C36   C37   C38    1.5365  113.45 -177.36  113.46   1.5382
IC C38   C36   *C37  H7X    1.5382  113.46 -120.61  108.32   1.1139
IC H7X   C36   *C37  H7Y    1.1139  108.32 -116.77  110.33   1.1104
IC C36   C37   C38   C39    1.5375  113.46   64.37  115.50   1.5424
IC C39   C37   *C38  H8X    1.5424  115.50 -121.64  108.27   1.1140
IC H8X   C37   *C38  H8Y    1.1140  108.27 -116.31  108.66   1.1135
IC C37   C38   C39   C310   1.5382  115.50   66.64  114.85   1.5410
IC C310  C38   *C39  H9X    1.5410  114.85  118.23  106.45   1.1160
IC H9X   C38   *C39  H9Y    1.1160  106.45  115.42  110.46   1.1067
IC C38   C39   C310  C311   1.5424  114.85  -91.56  116.18   1.5425
IC C311  C39   *C31  H10X   7.0195   15.23   -4.13   13.61   9.1635
IC H10X  C39   *C31  H10Y   9.1635   13.61  -45.02   14.48   8.4446
IC C39   C310  C311  C312   1.5410  116.18  -85.92  114.95   1.5399
IC C312  C310  *C31  H11X   7.3490   17.83  -65.53   12.68   6.9645
IC H11X  C310  *C31  H11Y   6.9645   12.68  105.60    3.24   6.1273
IC C310  C311  C312  C313   1.5425  114.95   88.99  114.30   1.5368
IC C313  C311  *C31  H12X   7.2426   20.81  -38.79   12.35   8.4338
IC H12X  C311  *C31  H12Y   8.4338   12.35  -14.41   17.84   6.8711
IC C311  C312  C313  C314   1.5399  114.30  176.73  113.77   1.5393
IC C314  C312  *C31  H13X   7.9271   18.93   53.51   15.83   7.9221
IC H13X  C312  *C31  H13Y   7.9221   15.83  -17.45   15.76   6.2293
IC C312  C313  C314  C315   1.5368  113.77   59.84  114.72   1.5395
IC C315  C313  *C31  H14X   9.3787   10.23   48.91   15.10   8.0559
IC H14X  C313  *C31  H14Y   8.0559   15.10  -46.05   16.94   7.4445
IC C313  C314  C315  C316   1.5393  114.72   57.27  113.80   1.5367
IC C316  C314  *C31  H15X  10.2882    6.55  161.84    5.73   9.9046
IC H15X  C314  *C31  H15Y   9.9046    5.73  -75.46   10.14   9.4781
IC C314  C315  C316  C317   1.5395  113.80  175.39  112.74   1.5342
IC C317  C315  *C31  H16X  11.7389    5.37    3.80   12.32  10.0232
IC H16X  C315  *C31  H16Y  10.0232   12.32  -49.95   11.40  10.3282
IC C315  C316  C317  C318   1.5367  112.74  179.25  113.28   1.5311
IC C318  C316  *C31  H17X  12.7409    3.67  176.00    5.93  12.1219
IC H17X  C316  *C31  H17Y  12.1219    5.93  -75.11    7.81  11.8473
IC C316  C317  C318  H18X   1.5342  113.28 -179.57  110.58   1.1113
IC H18X  C317  *C31  H18Y  13.7564    3.79    8.27    9.58  12.5526
IC H18X  C317  *C31  H18Z  13.7564    3.79  -43.55    8.87  12.8199

RESI DSPS        -1.00 ! 2,3-distearoyl-D-glycero-1-Phosphatidylserine
!
!  R1 - CH2        
!       |                 (-)
!  R2 - CH                CO2
!       |     (-)         |    (+)
!       CH2 - PO4 - CH2 - CH - NH3
!
! Polar Head and glycerol backbone
GROUP                  !
ATOM N    NH3L  -0.30 !           HN2
ATOM HN1  HCL    0.33 !            |
ATOM HN2  HCL    0.33 !            |
ATOM HN3  HCL    0.33 !            |
ATOM C12  CTL1   0.21 !  (+) HN1---N---HN3
ATOM H12A HBL    0.10 !            |
GROUP                 !            |     O13A (-)
ATOM C13  CCL    0.34 !            |     ||
ATOM O13A OCL   -0.67 !     H12A--C12----C13---O13B
ATOM O13B OCL   -0.67 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O12  OSLP  -0.57 !         / \      alpha2
ATOM O11  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL2  -0.18 !          |              |
ATOM H14R HAL2   0.09 !   H14R---C214--H14S
ATOM H14S HAL2   0.09 !          |              |
GROUP                 !
ATOM C215 CTL2  -0.18 !          |              |
ATOM H15R HAL2   0.09 !   H15R---C215--H15S
ATOM H15S HAL2   0.09 !          |              |
GROUP                 !
ATOM C216 CTL2  -0.18 !          |              |
ATOM H16R HAL2   0.09 !   H16R---C216--H16S
ATOM H16S HAL2   0.09 !          |              |
GROUP                 !
ATOM C217 CTL2  -0.18 !          |              |
ATOM H17R HAL2   0.09 !   H17R---C217--H17S
ATOM H17S HAL2   0.09 !          |              |
GROUP                 !
ATOM C218 CTL3  -0.27 !          |
ATOM H18R HAL3   0.09 !   H18R---C218--H18S     |
ATOM H18S HAL3   0.09 !          |
ATOM H18T HAL3   0.09 !         H18T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL2  -0.18 !                         |
ATOM H14X HAL2   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2   0.09 !                         |
GROUP                 !
ATOM C315 CTL2  -0.18 !                         |
ATOM H15X HAL2   0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2   0.09 !                         |
GROUP                 !
ATOM C316 CTL2  -0.18 !                         |
ATOM H16X HAL2   0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL2   0.09 !                         |
GROUP                 !
ATOM C317 CTL2  -0.18 !                         |
ATOM H17X HAL2   0.09 !                  H17X---C317--H17Y
ATOM H17Y HAL2   0.09 !                         |
GROUP                 !
ATOM C318 CTL3  -0.27 !                         |
ATOM H18X HAL3   0.09 !                  H18X---C318--H18Y
ATOM H18Y HAL3   0.09 !                         |
ATOM H18Z HAL3   0.09 !                         H18Z

! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  O13B C13       C13  C12
DOUBLE  C13 O13A
BOND  C12  H12A      C12  C11       C1   O11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32  C13 C12 O13B O13A

!IC table from IC generate, minimized geometry
IC N     C12   C11   O12    1.4893  109.83  -66.57  111.42   1.4332
IC N     C12   C13   O13B   1.4893  108.59  176.32  118.00   1.2543
IC HN1   C12   *N    HN2    1.0292  111.80  118.90  102.00   1.0493
IC HN1   C12   *N    HN3    1.0292  111.80 -123.29  108.74   1.0598
IC HN1   N     C12   C11    1.0292  111.80  133.59  109.83   1.5583
IC C11   N     *C12  C13    1.5583  109.83  122.20  108.59   1.5426
IC C13   N     *C12  H12A   1.5426  108.59  117.46  109.23   1.0792
IC O13B  C12   *C13  O13A   1.2543  118.00 -178.62  118.11   1.2654
IC O12   C12   *C11  H11A   1.4332  111.42 -118.35  107.45   1.1149
IC H11A  C12   *C11  H11B   1.1149  107.45 -115.46  110.35   1.1164
IC C12   C11   O12   P      1.5583  111.42   98.57  122.48   1.5832
IC C11   O12   P     O11    1.4332  122.48 -156.29  101.34   1.5818
IC O11   O12   *P    O13    1.5818  101.34 -116.69  110.11   1.4732
IC O11   O12   *P    O14    1.5818  101.34  113.46  106.34   1.4824
IC O12   P     O11   C1     1.5832  101.34  -51.08  118.56   1.4295
IC P     O11   C1    C2     1.5818  118.56  177.64  110.16   1.5453
IC C2    O11   *C1   HA     1.5453  110.16 -119.69  111.62   1.1160
IC HA    O11   *C1   HB     1.1160  111.62 -120.58  110.57   1.1155
IC O11   C1    C2    C3     1.4295  110.16   55.31  110.66   1.5589
IC C3    C1    *C2   O21    1.5589  110.66  121.77  106.57   1.4402
IC C3    C1    *C2   HS     1.5589  110.66 -118.05  107.02   1.1162
IC C1    C2    O21   C21    1.5453  106.57  150.42  116.02   1.3173
IC C2    O21   C21   C22    1.4402  116.02 -171.16  109.55   1.5337
IC C22   O21   *C21  O22    1.5337  109.55  175.84  126.68   1.2162
IC O21   C21   C22   C23    1.3173  109.55  -40.36  115.70   1.5489
IC C23   C21   *C22  H2R    1.5489  115.70 -123.33  107.45   1.1085
IC H2R   C21   *C22  H2S    1.1085  107.45 -115.61  106.22   1.1102
IC C1    C2    C3    O31    1.5453  110.66 -178.43  112.93   1.4451
IC O31   C2    *C3   HX     1.4451  112.93 -119.96  107.02   1.1122
IC HX    C2    *C3   HY     1.1122  107.02 -114.62  108.91   1.1153
IC C2    C3    O31   C31    1.5589  112.93   81.92  114.63   1.3321
IC C3    O31   C31   C32    1.4451  114.63 -172.95  108.55   1.5265
IC C32   O31   *C31  O32    1.5265  108.55 -179.70  126.10   1.2161
IC O31   C31   C32   C33    1.3321  108.55 -169.62  113.41   1.5450
IC C33   C31   *C32  H2X    1.5450  113.41  122.60  108.22   1.1085
IC H2X   C31   *C32  H2Y    1.1085  108.22  116.86  106.89   1.1104
IC C21   C22   C23   C24    1.5337  115.70  166.19  110.98   1.5367
IC C24   C22   *C23  H3R    1.5367  110.98 -119.29  110.34   1.1145
IC H3R   C22   *C23  H3S    1.1145  110.34 -118.50  109.68   1.1106
IC C22   C23   C24   C25    1.5489  110.98  177.85  114.55   1.5398
IC C25   C23   *C24  H4R    1.5398  114.55 -123.69  109.53   1.1124
IC H4R   C23   *C24  H4S    1.1124  109.53 -115.99  107.45   1.1147
IC C23   C24   C25   C26    1.5367  114.55 -107.75  113.11   1.5381
IC C26   C24   *C25  H5R    1.5381  113.11 -118.26  107.52   1.1158
IC H5R   C24   *C25  H5S    1.1158  107.52 -116.99  110.66   1.1120
IC C24   C25   C26   C27    1.5398  113.11   80.59  113.41   1.5344
IC C27   C25   *C26  H6R    1.5344  113.41 -122.73  108.41   1.1113
IC H6R   C25   *C26  H6S    1.1113  108.41 -116.47  109.55   1.1128
IC C25   C26   C27   C28    1.5381  113.41 -158.33  113.82   1.5394
IC C28   C26   *C27  H7R    1.5394  113.82 -121.96  108.36   1.1132
IC H7R   C26   *C27  H7S    1.1132  108.36 -115.75  109.43   1.1092
IC C26   C27   C28   C29    1.5344  113.82   69.51  114.89   1.5440
IC C29   C27   *C28  H8R    1.5440  114.89 -122.86  109.02   1.1120
IC H8R   C27   *C28  H8S    1.1120  109.02 -116.01  108.15   1.1135
IC C27   C28   C29   C210   1.5394  114.89   51.90  115.07   1.5416
IC C210  C28   *C29  H9R    1.5416  115.07  121.50  108.12   1.1137
IC H9R   C28   *C29  H9S    1.1137  108.12  116.43  109.21   1.1127
IC C28   C29   C210  C211   1.5440  115.07   53.04  113.37   1.5397
IC C211  C29   *C21  H10R   5.7673   21.55   78.11    4.78   4.7086
IC H10R  C29   *C21  H10S   4.7086    4.78  -13.23   18.08   5.9943
IC C29   C210  C211  C212   1.5416  113.37  178.61  114.23   1.5866
IC C212  C210  *C21  H11R   5.0588   27.61  -18.10   16.56   6.8518
IC H11R  C210  *C21  H11S   6.8518   16.56  -36.31   21.84   5.7235
IC C210  C211  C212  C213   1.5397  114.23  122.02  131.52   1.5934
IC C213  C211  *C21  H12R   4.4877   29.63    3.88   17.69   5.9281
IC H12R  C211  *C21  H12S   5.9281   17.69   31.51    7.88   4.0846
IC C211  C212  C213  C214   1.5866  131.52   -6.63  117.77   1.5445
IC C214  C212  *C21  H13R   4.4367   32.02   48.17   24.48   5.3636
IC H13R  C212  *C21  H13S   5.3636   24.48   14.65   22.70   3.6579
IC C212  C213  C214  C215   1.5934  117.77   65.51  117.48   1.5425
IC C215  C213  *C21  H14R   5.8678   25.32   39.55   28.10   4.3791
IC H14R  C213  *C21  H14S   4.3791   28.10  -51.21   28.96   3.7604
IC C213  C214  C215  C216   1.5445  117.48   49.82  115.65   1.5356
IC C216  C214  *C21  H15R   7.0286    2.73 -121.88   15.53   6.0842
IC H15R  C214  *C21  H15S   6.0842   15.53  -67.80   14.55   6.1747
IC C214  C215  C216  C217   1.5425  115.65 -176.51  111.52   1.5364
IC C217  C215  *C21  H16R   8.3727    3.42   25.77   15.99   7.1004
IC H16R  C215  *C21  H16S   7.1004   15.99  -54.64   16.06   7.0896
IC C215  C216  C217  C218   1.5356  111.52  175.21  114.00   1.5301
IC C218  C216  *C21  H17R   9.5976    0.83   78.52   11.93   8.4792
IC H17R  C216  *C21  H17S   8.4792   11.93   62.62   11.40   8.5553
IC C216  C217  C218  H18R   1.5364  114.00 -177.20  110.68   1.1112
IC H18R  C217  *C21  H18S  10.5203    2.48   11.05   11.36   9.6329
IC H18R  C217  *C21  H18T  10.5203    2.48  -46.76   10.76   9.7500
IC C31   C32   C33   C34    1.5265  113.41 -178.31  110.43   1.5319
IC C34   C32   *C33  H3X    1.5319  110.43  120.52  109.82   1.1140
IC H3X   C32   *C33  H3Y    1.1140  109.82  118.38  109.88   1.1135
IC C32   C33   C34   C35    1.5450  110.43 -177.75  114.37   1.5349
IC C35   C33   *C34  H4X    1.5349  114.37 -122.75  108.44   1.1128
IC H4X   C33   *C34  H4Y    1.1128  108.44 -116.39  108.05   1.1123
IC C33   C34   C35   C36    1.5319  114.37  175.06  112.43   1.5394
IC C36   C34   *C35  H5X    1.5394  112.43 -119.99  108.22   1.1143
IC H5X   C34   *C35  H5Y    1.1143  108.22 -117.36  109.81   1.1120
IC C34   C35   C36   C37    1.5349  112.43   70.40  113.76   1.5387
IC C37   C35   *C36  H6X    1.5387  113.76 -122.04  108.16   1.1115
IC H6X   C35   *C36  H6Y    1.1115  108.16 -116.63  109.20   1.1126
IC C35   C36   C37   C38    1.5394  113.76 -172.58  113.92   1.5395
IC C38   C36   *C37  H7X    1.5395  113.92 -121.21  108.03   1.1132
IC H7X   C36   *C37  H7Y    1.1132  108.03 -116.35  110.34   1.1098
IC C36   C37   C38   C39    1.5387  113.92   66.63  115.49   1.5437
IC C39   C37   *C38  H8X    1.5437  115.49 -122.24  108.31   1.1133
IC H8X   C37   *C38  H8Y    1.1133  108.31 -116.30  108.32   1.1142
IC C37   C38   C39   C310   1.5395  115.49   63.09  114.80   1.5430
IC C310  C38   *C39  H9X    1.5430  114.80  119.20  106.81   1.1149
IC H9X   C38   *C39  H9Y    1.1149  106.81  115.88  110.23   1.1109
IC C38   C39   C310  C311   1.5437  114.80  -97.22  114.16   1.5393
IC C311  C39   *C31  H10X   6.6715   14.51  -56.88   14.89   7.9593
IC H10X  C39   *C31  H10Y   7.9593   14.89   44.28   14.35   8.7846
IC C39   C310  C311  C312   1.5430  114.16  -70.86  113.83   1.5380
IC C312  C310  *C31  H11X   7.0785   18.66  -65.75   13.00   6.4770
IC H11X  C310  *C31  H11Y   6.4770   13.00  115.10    4.73   5.8493
IC C310  C311  C312  C313   1.5393  113.83  136.63  112.63   1.5361
IC C313  C311  *C31  H12X   6.1944   22.54    5.99   13.35   8.0241
IC H12X  C311  *C31  H12Y   8.0241   13.35  -48.85   16.60   7.4442
IC C311  C312  C313  C314   1.5380  112.63  174.59  114.70   1.5377
IC C314  C312  *C31  H13X   7.0177   21.15   53.80   17.07   6.1607
IC H13X  C312  *C31  H13Y   6.1607   17.07  -63.18   10.26   5.2003
IC C312  C313  C314  C315   1.5361  114.70   57.88  114.33   1.5376
IC C315  C313  *C31  H14X   8.4373   10.18   -6.61   19.01   6.6105
IC H14X  C313  *C31  H14Y   6.6105   19.01  -46.66   16.56   7.2074
IC C313  C314  C315  C316   1.5377  114.33  -96.95  113.29   1.5381
IC C316  C314  *C31  H15X   9.5006    4.63  -89.74   11.68   8.5155
IC H15X  C314  *C31  H15Y   8.5155   11.68  -68.78    8.43   8.8490
IC C314  C315  C316  C317   1.5376  113.29  178.54  113.74   1.5364
IC C317  C315  *C31  H16X  10.8975    4.54    5.72   12.92   9.3175
IC H16X  C315  *C31  H16Y   9.3175   12.92   51.98   11.50   9.6267
IC C315  C316  C317  C318   1.5381  113.74  -66.93  114.18   1.5322
IC C318  C316  *C31  H17X  11.1830   10.86  -72.50    7.43  11.2104
IC H17X  C316  *C31  H17Y  11.2104    7.43  149.41    1.48  11.6438
IC C316  C317  C318  H18X   1.5364  114.18 -176.65  110.61   1.1110
IC H18X  C317  *C31  H18Y  12.2679    8.45   34.05   11.41  11.0240
IC H18X  C317  *C31  H18Z  12.2679    8.45  -14.05   11.59  10.6507

RESI DSPA        -1.00 ! 2,3-distearoyl--D-glycero-1-Phosphatidic acid
!
!  R1 - CH2
!       |
!  R2 - CH
!       |     (-)
!       CH2 - PO4 - H
!
! Polar Head and glycerol backbone
GROUP                 !            H12
                      !            |     
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.82 !         \ /      alpha3
ATOM O14  O2L   -0.82 !          P (+)
ATOM O12  OHL   -0.68 !         / \      alpha2
ATOM H12  HOL    0.34 !   (-) O14  O11
ATOM O11  OSLP  -0.62 !            |
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL2  -0.18 !          |              |
ATOM H14R HAL2   0.09 !   H14R---C214--H14S
ATOM H14S HAL2   0.09 !          |              |
GROUP                 !
ATOM C215 CTL2  -0.18 !          |              |
ATOM H15R HAL2   0.09 !   H15R---C215--H15S
ATOM H15S HAL2   0.09 !          |              |
GROUP                 !
ATOM C216 CTL2  -0.18 !          |              |
ATOM H16R HAL2   0.09 !   H16R---C216--H16S
ATOM H16S HAL2   0.09 !          |              |
GROUP                 !
ATOM C217 CTL2  -0.18 !          |              |
ATOM H17R HAL2   0.09 !   H17R---C217--H17S
ATOM H17S HAL2   0.09 !          |              |
GROUP                 !
ATOM C218 CTL3  -0.27 !          |
ATOM H18R HAL3   0.09 !   H18R---C218--H18S     |
ATOM H18S HAL3   0.09 !          |
ATOM H18T HAL3   0.09 !         H18T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL2  -0.18 !                         |
ATOM H14X HAL2   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2   0.09 !                         |
GROUP                 !
ATOM C315 CTL2  -0.18 !                         |
ATOM H15X HAL2   0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2   0.09 !                         |
GROUP                 !
ATOM C316 CTL2  -0.18 !                         |
ATOM H16X HAL2   0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL2   0.09 !                         |
GROUP                 !
ATOM C317 CTL2  -0.18 !                         |
ATOM H17X HAL2   0.09 !                  H17X---C317--H17Y
ATOM H17Y HAL2   0.09 !                         |
GROUP                 !
ATOM C318 CTL3  -0.27 !                         |
ATOM H18X HAL3   0.09 !                  H18X---C318--H18Y
ATOM H18Y HAL3   0.09 !                         |
ATOM H18Z HAL3   0.09 !                         H18Z

! Polar Head
BOND  O12  P         P    O11       P    O13       P    O14
BOND  O12  H12       O11  C1
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC O11   P     O12   H12    1.5797  106.19 -174.43  105.34   0.9597
IC O12   O11   *P    O13    1.5645  106.19  112.41  111.47   1.4708
IC O12   O11   *P    O14    1.5645  106.19 -112.06  111.74   1.4720
IC O12   P     O11   C1     1.5645  106.19  -73.73  119.29   1.4309
IC P     O11   C1    C2     1.5797  119.29 -163.52  110.54   1.5550
IC C2    O11   *C1   HA     1.5550  110.54 -121.71  110.85   1.1135
IC HA    O11   *C1   HB     1.1135  110.85 -120.19  110.56   1.1179
IC O11   C1    C2    C3     1.4309  110.54   30.10  110.38   1.5588
IC C3    C1    *C2   O21    1.5588  110.38  120.44  109.26   1.4433
IC C3    C1    *C2   HS     1.5588  110.38 -117.04  108.90   1.1156
IC C1    C2    O21   C21    1.5550  109.26   70.02  113.24   1.3201
IC C2    O21   C21   C22    1.4433  113.24 -160.90  109.65   1.5271
IC C22   O21   *C21  O22    1.5271  109.65  179.14  126.45   1.2176
IC O21   C21   C22   C23    1.3201  109.65   58.21  112.49   1.5469
IC C23   C21   *C22  H2R    1.5469  112.49 -122.89  108.71   1.1070
IC H2R   C21   *C22  H2S    1.1070  108.71 -117.07  106.43   1.1101
IC C1    C2    C3    O31    1.5550  110.38  173.23  114.24   1.4483
IC O31   C2    *C3   HX     1.4483  114.24 -119.90  106.40   1.1131
IC HX    C2    *C3   HY     1.1131  106.40 -114.40  108.90   1.1153
IC C2    C3    O31   C31    1.5588  114.24   79.01  114.95   1.3247
IC C3    O31   C31   C32    1.4483  114.95  171.52  108.44   1.5301
IC C32   O31   *C31  O32    1.5301  108.44 -177.69  126.56   1.2146
IC O31   C31   C32   C33    1.3247  108.44  176.71  113.03   1.5469
IC C33   C31   *C32  H2X    1.5469  113.03  120.38  106.81   1.1102
IC H2X   C31   *C32  H2Y    1.1102  106.81  116.90  108.49   1.1084
IC C21   C22   C23   C24    1.5271  112.49  164.67  111.95   1.5352
IC C24   C22   *C23  H3R    1.5352  111.95  122.59  109.31   1.1129
IC H3R   C22   *C23  H3S    1.1129  109.31  117.45  110.08   1.1159
IC C22   C23   C24   C25    1.5469  111.95  172.97  113.75   1.5391
IC C25   C23   *C24  H4R    1.5391  113.75 -122.90  109.75   1.1116
IC H4R   C23   *C24  H4S    1.1116  109.75 -116.47  107.71   1.1141
IC C23   C24   C25   C26    1.5352  113.75 -106.03  113.30   1.5384
IC C26   C24   *C25  H5R    1.5384  113.30 -119.17  108.03   1.1144
IC H5R   C24   *C25  H5S    1.1144  108.03 -116.83  110.12   1.1126
IC C24   C25   C26   C27    1.5391  113.30   72.13  113.44   1.5358
IC C27   C25   *C26  H6R    1.5358  113.44 -122.40  108.19   1.1118
IC H6R   C25   *C26  H6S    1.1118  108.19 -116.74  109.22   1.1131
IC C25   C26   C27   C28    1.5384  113.44 -170.55  113.87   1.5387
IC C28   C26   *C27  H7R    1.5387  113.87  122.06  109.68   1.1107
IC H7R   C26   *C27  H7S    1.1107  109.68  116.15  108.48   1.1137
IC C26   C27   C28   C29    1.5358  113.87   64.07  114.80   1.5443
IC C29   C27   *C28  H8R    1.5443  114.80 -122.62  109.09   1.1125
IC H8R   C27   *C28  H8S    1.1125  109.09 -116.13  108.08   1.1138
IC C27   C28   C29   C210   1.5387  114.80   48.45  116.66   1.5478
IC C210  C28   *C29  H9R    1.5478  116.66  123.25  108.70   1.1122
IC H9R   C28   *C29  H9S    1.1122  108.70  115.69  107.76   1.1136
IC C28   C29   C210  C211   1.5443  116.66   67.81  115.63   1.5897
IC C211  C29   *C21  H10R   6.2419   20.94   73.41    9.77   5.3549
IC H10R  C29   *C21  H10S   5.3549    9.77  -15.73   17.13   6.9218
IC C29   C210  C211  C212   1.5478  115.63 -121.19  128.44   1.5929
IC C212  C210  *C21  H11R   5.2086   26.76   38.87   16.82   5.9507
IC H11R  C210  *C21  H11S   5.9507   16.82  -76.03   16.59   5.9467
IC C210  C211  C212  C213   1.5897  128.44  116.88  115.59   1.5460
IC C213  C211  *C21  H12R   5.6140   25.18   58.38   20.70   5.5387
IC H12R  C211  *C21  H12S   5.5387   20.70  -23.71    8.19   4.1444
IC C211  C212  C213  C214   1.5929  115.59   59.27  116.27   1.5932
IC C214  C212  *C21  H13R   7.1806   16.87   12.79   24.10   5.1670
IC H13R  C212  *C21  H13S   5.1670   24.10  -47.73   23.38   5.4912
IC C212  C213  C214  C215   1.5460  116.27  -11.59  131.59   1.5907
IC C215  C213  *C21  H14R   8.3796    7.41   96.21    6.34   7.2569
IC H14R  C213  *C21  H14S   7.2569    6.34 -148.46   11.05   6.9654
IC C213  C214  C215  C216   1.5932  131.59 -120.65  114.14   1.5448
IC C216  C214  *C21  H15R   9.5243    8.30  -91.04    9.60   8.9278
IC H15R  C214  *C21  H15S   8.9278    9.60   45.04   15.22   8.1472
IC C214  C215  C216  C217   1.5907  114.14   85.86  115.64   1.5401
IC C217  C215  *C21  H16R   9.5729   14.90    4.74    3.69  10.4656
IC H16R  C215  *C21  H16S  10.4656    3.69   53.52   10.95   9.7008
IC C215  C216  C217  C218   1.5448  115.64   65.88  114.51   1.5325
IC C218  C216  *C21  H17R   9.8439   15.22   49.81   11.06  10.5025
IC H17R  C216  *C21  H17S  10.5025   11.06   -1.62   12.80   8.7371
IC C216  C217  C218  H18R   1.5401  114.51  176.03  110.41   1.1110
IC H18R  C217  *C21  H18S  10.1477   12.27  -48.04   10.43  10.7485
IC H18R  C217  *C21  H18T  10.1477   12.27  -39.05   13.08   9.0334
IC C31   C32   C33   C34    1.5301  113.03  167.20  111.36   1.5341
IC C34   C32   *C33  H3X    1.5341  111.36  121.73  109.34   1.1131
IC H3X   C32   *C33  H3Y    1.1131  109.34  118.01  110.38   1.1147
IC C32   C33   C34   C35    1.5469  111.36  171.01  114.15   1.5383
IC C35   C33   *C34  H4X    1.5383  114.15 -121.40  108.37   1.1115
IC H4X   C33   *C34  H4Y    1.1115  108.37 -116.15  108.73   1.1133
IC C33   C34   C35   C36    1.5341  114.15 -114.73  112.49   1.5380
IC C36   C34   *C35  H5X    1.5380  112.49 -119.62  108.26   1.1141
IC H5X   C34   *C35  H5Y    1.1141  108.26 -117.23  110.26   1.1120
IC C34   C35   C36   C37    1.5383  112.49   71.99  113.19   1.5373
IC C37   C35   *C36  H6X    1.5373  113.19 -121.94  107.90   1.1120
IC H6X   C35   *C36  H6Y    1.1120  107.90 -116.61  109.68   1.1127
IC C35   C36   C37   C38    1.5380  113.19 -162.68  113.80   1.5396
IC C38   C36   *C37  H7X    1.5396  113.80 -121.51  108.07   1.1136
IC H7X   C36   *C37  H7Y    1.1136  108.07 -115.90  109.83   1.1105
IC C36   C37   C38   C39    1.5373  113.80   70.35  114.82   1.5425
IC C39   C37   *C38  H8X    1.5425  114.82 -122.75  108.79   1.1126
IC H8X   C37   *C38  H8Y    1.1126  108.79 -116.58  108.25   1.1140
IC C37   C38   C39   C310   1.5396  114.82   60.49  113.57   1.5385
IC C310  C38   *C39  H9X    1.5385  113.57  120.45  108.34   1.1133
IC H9X   C38   *C39  H9Y    1.1133  108.34  116.82  109.63   1.1110
IC C38   C39   C310  C311   1.5425  113.57  173.52  114.38   1.5399
IC C311  C39   *C31  H10X   6.7016   21.46  -57.76   17.39   6.2598
IC H10X  C39   *C31  H10Y   6.2598   17.39   47.74    7.84   5.0407
IC C39   C310  C311  C312   1.5385  114.38   62.05  115.18   1.5396
IC C312  C310  *C31  H11X   6.9383   21.80  -51.47   20.06   6.2696
IC H11X  C310  *C31  H11Y   6.2696   20.06    6.02   11.84   7.7484
IC C310  C311  C312  C313   1.5399  115.18   50.74  113.69   1.5375
IC C313  C311  *C31  H12X   5.8370   22.37  -32.36   16.30   7.5029
IC H12X  C311  *C31  H12Y   7.5029   16.30   50.67   15.33   7.7267
IC C311  C312  C313  C314   1.5396  113.69  166.12  114.62   1.5387
IC C314  C312  *C31  H13X   6.5349   21.89  -32.48    8.99   4.9693
IC H13X  C312  *C31  H13Y   4.9693    8.99   90.03   15.83   5.6291
IC C312  C313  C314  C315   1.5375  114.62   51.45  115.05   1.5374
IC C315  C313  *C31  H14X   7.9249   13.01  -10.79   20.99   6.0127
IC H14X  C313  *C31  H14Y   6.0127   20.99  -43.36   17.72   6.8063
IC C313  C314  C315  C316   1.5387  115.05   59.49  113.96   1.5353
IC C316  C314  *C31  H15X   8.1062   16.13  -66.55    7.37   8.4746
IC H15X  C314  *C31  H15Y   8.4746    7.37  131.44    5.84   8.5742
IC C314  C315  C316  C317   1.5374  113.96  176.07  112.07   1.5340
IC C317  C315  *C31  H16X   9.6136   12.53  -19.17   15.89   7.6174
IC H16X  C315  *C31  H16Y   7.6174   15.89   49.91   15.88   7.8275
IC C315  C316  C317  C318   1.5353  112.07 -178.55  113.54   1.5302
IC C318  C316  *C31  H17X  10.1212   10.03  -94.87    6.43  10.0200
IC H17X  C316  *C31  H17Y  10.0200    6.43 -150.77    4.06  10.1726
IC C316  C317  C318  H18X   1.5340  113.54 -179.77  110.50   1.1113
IC H18X  C317  *C31  H18Y  11.2278    8.12  -19.71   12.88   9.7821
IC H18X  C317  *C31  H18Z  11.2278    8.12   28.91   12.69   9.9307

RESI DSPG        -1.00 ! 2,3-distearoyl-D-glycero-1-Phosphatidylglycerol
!
!  R1 - CH2
!       |
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH(OH) - CH2OH
!
! Polar Head and glycerol backbone
GROUP                 !
ATOM C13  CTL2   0.05 !
ATOM H13A HAL2   0.09 !           H13A
ATOM H13B HAL2   0.09 !            |
ATOM OC3  OHL   -0.65 !            |
ATOM HO3  HOL    0.42 !     H13B--C13---OC3--HO3
GROUP                 !            |
ATOM C12  CTL1   0.14 !            |
ATOM H12A HAL1   0.09 !            |
ATOM OC2  OHL   -0.65 !     H12A--C12---OC2--HO2
ATOM HO2  HOL    0.42 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O12  OSLP  -0.57 !         / \      alpha2
ATOM O11  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2--------------
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21              |
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !          |    beta4       |
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !          |           HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !          |           O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !          |              C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !          |              |      gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C24  CTL2  -0.18 !          |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |
GROUP                 !
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C26  CTL2  -0.18 !          |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |
GROUP                 !
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C28  CTL2  -0.18 !          |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |
GROUP                 !
ATOM C29  CTL2  -0.18 !          |              |
ATOM H9R  HAL2   0.09 !   H9R ---C29---H9S
ATOM H9S  HAL2   0.09 !          |              |
GROUP                 !
ATOM C210 CTL2  -0.18 !          |
ATOM H10R HAL2   0.09 !   H10R---C210--H10S     |
ATOM H10S HAL2   0.09 !          |
GROUP                 !
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !
ATOM C212 CTL2  -0.18 !          |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |
GROUP                 !
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !
ATOM C214 CTL2  -0.18 !          |              |
ATOM H14R HAL2   0.09 !   H14R---C214--H14S
ATOM H14S HAL2   0.09 !          |              |
GROUP                 !
ATOM C215 CTL2  -0.18 !          |              |
ATOM H15R HAL2   0.09 !   H15R---C215--H15S
ATOM H15S HAL2   0.09 !          |              |
GROUP                 !
ATOM C216 CTL2  -0.18 !          |              |
ATOM H16R HAL2   0.09 !   H16R---C216--H16S
ATOM H16S HAL2   0.09 !          |              |
GROUP                 !
ATOM C217 CTL2  -0.18 !          |              |
ATOM H17R HAL2   0.09 !   H17R---C217--H17S
ATOM H17S HAL2   0.09 !          |              |
GROUP                 !
ATOM C218 CTL3  -0.27 !          |
ATOM H18R HAL3   0.09 !   H18R---C218--H18S     |
ATOM H18S HAL3   0.09 !          |
ATOM H18T HAL3   0.09 !         H18T            |
GROUP                 !
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C39  CTL2  -0.18 !                         |
ATOM H9X  HAL2   0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2   0.09 !                         |
GROUP                 !
ATOM C310 CTL2  -0.18 !                         |
ATOM H10X HAL2   0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2   0.09 !                         |
GROUP                 !
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !
ATOM C314 CTL2  -0.18 !                         |
ATOM H14X HAL2   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2   0.09 !                         |
GROUP                 !
ATOM C315 CTL2  -0.18 !                         |
ATOM H15X HAL2   0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2   0.09 !                         |
GROUP                 !
ATOM C316 CTL2  -0.18 !                         |
ATOM H16X HAL2   0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL2   0.09 !                         |
GROUP                 !
ATOM C317 CTL2  -0.18 !                         |
ATOM H17X HAL2   0.09 !                  H17X---C317--H17Y
ATOM H17Y HAL2   0.09 !                         |
GROUP                 !
ATOM C318 CTL3  -0.27 !                         |
ATOM H18X HAL3   0.09 !                  H18X---C318--H18Y
ATOM H18Y HAL3   0.09 !                         |
ATOM H18Z HAL3   0.09 !                         H18Z

! Polar Head
BOND  HO3  OC3       OC3  C13       C13  H13A      C13  H13B      C13  C12
BOND  HO2  OC2       OC2  C12       C12  H12A      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain #2
BOND  O21  C21
BOND  C21  C22
DOUBLE C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain #3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC C13   C12   C11   O12    1.5527  114.46  177.24  109.46   1.4326
IC OC3   C13   C12   C11    1.4270  111.73  -65.37  114.46   1.5449
IC OC3   C12   *C13  H13A   1.4270  111.73  121.66  109.71   1.1109
IC OC3   C12   *C13  H13B   1.4270  111.73 -119.89  108.39   1.1123
IC C12   C13   OC3   HO3    1.5527  111.73  -30.89  102.85   0.9681
IC C11   C13   *C12  OC2    1.5449  114.46  121.77  110.89   1.4224
IC OC2   C13   *C12  H12A   1.4224  110.89  118.35  108.37   1.1141
IC C13   C12   OC2   HO2    1.5527  110.89 -158.95  100.56   0.9714
IC O12   C12   *C11  H11A   1.4326  109.46 -120.59  109.31   1.1146
IC H11A  C12   *C11  H11B   1.1146  109.31 -117.47  107.92   1.1167
IC C12   C11   O12   P      1.5449  109.46  163.97  118.76   1.5886
IC C11   O12   P     O11    1.4326  118.76  156.86  101.13   1.5890
IC O11   O12   *P    O13    1.5890  101.13 -114.16  108.58   1.4783
IC O11   O12   *P    O14    1.5890  101.13  115.79  109.11   1.4764
IC O12   P     O11   C1     1.5886  101.13  -60.17  117.54   1.4310
IC P     O11   C1    C2     1.5890  117.54  176.83  111.12   1.5541
IC C2    O11   *C1   HA     1.5541  111.12 -121.22  111.69   1.1155
IC HA    O11   *C1   HB     1.1155  111.69 -120.21  109.38   1.1164
IC O11   C1    C2    C3     1.4310  111.12   34.34  111.18   1.5587
IC C3    C1    *C2   O21    1.5587  111.18  120.62  108.83   1.4440
IC C3    C1    *C2   HS     1.5587  111.18 -117.18  108.49   1.1160
IC C1    C2    O21   C21    1.5541  108.83   70.02  113.21   1.3230
IC C2    O21   C21   C22    1.4440  113.21 -161.00  109.96   1.5276
IC C22   O21   *C21  O22    1.5276  109.96  179.03  126.20   1.2172
IC O21   C21   C22   C23    1.3230  109.96   58.21  112.90   1.5482
IC C23   C21   *C22  H2R    1.5482  112.90 -122.94  108.49   1.1076
IC H2R   C21   *C22  H2S    1.1076  108.49 -117.04  106.39   1.1108
IC C1    C2    C3    O31    1.5541  111.18  179.77  113.62   1.4493
IC O31   C2    *C3   HX     1.4493  113.62 -119.97  106.73   1.1125
IC HX    C2    *C3   HY     1.1125  106.73 -114.77  109.12   1.1154
IC C2    C3    O31   C31    1.5587  113.62   80.60  114.51   1.3266
IC C3    O31   C31   C32    1.4493  114.51  174.48  109.12   1.5298
IC C32   O31   *C31  O32    1.5298  109.12 -178.62  126.32   1.2152
IC O31   C31   C32   C33    1.3266  109.12 -178.76  111.83   1.5528
IC C33   C31   *C32  H2X    1.5528  111.83  120.53  107.45   1.1094
IC H2X   C31   *C32  H2Y    1.1094  107.45  117.20  107.94   1.1083
IC C21   C22   C23   C24    1.5276  112.90  164.78  111.90   1.5369
IC C24   C22   *C23  H3R    1.5369  111.90 -120.33  110.35   1.1155
IC H3R   C22   *C23  H3S    1.1155  110.35 -117.56  109.07   1.1129
IC C22   C23   C24   C25    1.5482  111.90  169.91  114.04   1.5408
IC C25   C23   *C24  H4R    1.5408  114.04 -122.16  109.32   1.1123
IC H4R   C23   *C24  H4S    1.1123  109.32 -116.31  108.21   1.1136
IC C23   C24   C25   C26    1.5369  114.04 -112.58  113.07   1.5394
IC C26   C24   *C25  H5R    1.5394  113.07 -119.77  108.32   1.1139
IC H5R   C24   *C25  H5S    1.1139  108.32 -117.09  110.18   1.1120
IC C24   C25   C26   C27    1.5408  113.07   71.79  113.03   1.5375
IC C27   C25   *C26  H6R    1.5375  113.03 -122.37  107.70   1.1101
IC H6R   C25   *C26  H6S    1.1101  107.70 -116.14  109.88   1.1125
IC C25   C26   C27   C28    1.5394  113.03 -146.71  114.97   1.5414
IC C28   C26   *C27  H7R    1.5414  114.97 -123.08  108.51   1.1127
IC H7R   C26   *C27  H7S    1.1127  108.51 -114.67  108.99   1.1079
IC C26   C27   C28   C29    1.5375  114.97   64.54  115.43   1.5450
IC C29   C27   *C28  H8R    1.5450  115.43 -122.27  108.43   1.1126
IC H8R   C27   *C28  H8S    1.1126  108.43 -115.77  108.15   1.1118
IC C27   C28   C29   C210   1.5414  115.43   57.12  116.34   1.5438
IC C210  C28   *C29  H9R    1.5438  116.34  124.04  109.60   1.1116
IC H9R   C28   *C29  H9S    1.1116  109.60  115.33  107.40   1.1129
IC C28   C29   C210  C211   1.5450  116.34   92.22  115.61   1.5403
IC C211  C29   *C21  H10R   5.8194   23.60   62.38   17.36   5.2844
IC H10R  C29   *C21  H10S   5.2844   17.36  -89.76    5.85   4.3730
IC C29   C210  C211  C212   1.5438  115.61  -65.13  115.67   1.5370
IC C212  C210  *C21  H11R   6.3127   23.97   47.46   23.65   5.2335
IC H11R  C210  *C21  H11S   5.2335   23.65    4.21   15.19   6.7920
IC C210  C211  C212  C213   1.5403  115.67  -57.02  114.10   1.5383
IC C213  C211  *C21  H12R   5.4602   26.20   34.13   17.02   6.8947
IC H12R  C211  *C21  H12S   6.8947   17.02  -53.67   15.32   7.1404
IC C211  C212  C213  C214   1.5370  114.10 -170.17  114.14   1.5389
IC C214  C212  *C21  H13R   6.4689   23.27   23.30   14.36   4.5967
IC H13R  C212  *C21  H13S   4.5967   14.36  -71.97   18.83   5.2276
IC C212  C213  C214  C215   1.5383  114.14  -44.39  114.15   1.5345
IC C215  C213  *C21  H14R   7.8518    8.47   10.62   20.04   6.2242
IC H14R  C213  *C21  H14S   6.2242   20.04   48.89   16.88   6.7112
IC C213  C214  C215  C216   1.5389  114.15 -174.08  112.75   1.5347
IC C216  C214  *C21  H15R   8.9073    5.78  -75.89   13.30   7.8767
IC H15R  C214  *C21  H15S   7.8767   13.30  -64.58    8.92   8.3139
IC C214  C215  C216  C217   1.5345  112.75 -164.48  113.10   1.5367
IC C217  C215  *C21  H16R  10.3283    4.19   33.88   12.99   8.9106
IC H16R  C215  *C21  H16S   8.9106   12.99  -52.55   13.37   8.8213
IC C215  C216  C217  C218   1.5347  113.10  -57.86  114.48   1.5326
IC C218  C216  *C21  H17R  10.7276   10.74  -75.19    8.10  10.5809
IC H17R  C216  *C21  H17S  10.5809    8.10 -166.85    1.09  11.0629
IC C216  C217  C218  H18R   1.5367  114.48 -177.64  110.43   1.1110
IC H18R  C217  *C21  H18S  11.8109    8.33  -11.59   12.22  10.2196
IC H18R  C217  *C21  H18T  11.8109    8.33   35.94   11.83  10.6434
IC C31   C32   C33   C34    1.5298  111.83  170.63  114.27   1.5918
IC C34   C32   *C33  H3X    1.5918  114.27  123.49  109.22   1.1134
IC H3X   C32   *C33  H3Y    1.1134  109.22  116.29  107.65   1.1173
IC C32   C33   C34   C35    1.5528  114.27  116.49  127.65   1.5940
IC C35   C33   *C34  H4X    1.5940  127.65  -69.94   79.89   1.1249
IC H4X   C33   *C34  H4Y    1.1249   79.89  142.61   81.15   1.1349
IC C33   C34   C35   C36    1.5918  127.65 -121.62  114.80   1.5445
IC C36   C34   *C35  H5X    1.5445  114.80 -118.03  107.93   1.1160
IC H5X   C34   *C35  H5Y    1.1160  107.93 -117.35  110.21   1.1110
IC C34   C35   C36   C37    1.5940  114.80   84.08  114.55   1.5394
IC C37   C35   *C36  H6X    1.5394  114.55 -122.72  108.07   1.1131
IC H6X   C35   *C36  H6Y    1.1131  108.07 -116.55  109.08   1.1134
IC C35   C36   C37   C38    1.5445  114.55 -167.23  112.81   1.5386
IC C38   C36   *C37  H7X    1.5386  112.81 -123.16  110.28   1.1112
IC H7X   C36   *C37  H7Y    1.1112  110.28 -116.30  107.95   1.1075
IC C36   C37   C38   C39    1.5394  112.81  158.78  114.66   1.5421
IC C39   C37   *C38  H8X    1.5421  114.66 -121.91  109.39   1.1095
IC H8X   C37   *C38  H8Y    1.1095  109.39 -115.53  108.69   1.1126
IC C37   C38   C39   C310   1.5386  114.66  -53.13  117.06   1.5456
IC C310  C38   *C39  H9X    1.5456  117.06  121.00  107.46   1.1144
IC H9X   C38   *C39  H9Y    1.1144  107.46  115.86  108.70   1.1131
IC C38   C39   C310  C311   1.5421  117.06  -66.60  116.96   1.5427
IC C311  C39   *C31  H10X   5.8851   20.92  -58.96   17.59   6.5549
IC H10X  C39   *C31  H10Y   6.5549   17.59  -22.07    8.84   5.0878
IC C39   C310  C311  C312   1.5456  116.96   73.83  115.78   1.5387
IC C312  C310  *C31  H11X   5.2812   25.72  -29.63   17.56   6.9533
IC H11X  C310  *C31  H11Y   6.9533   17.56  -28.89   20.87   5.5224
IC C310  C311  C312  C313   1.5427  115.78  156.38  114.20   1.5382
IC C313  C311  *C31  H12X   5.2586   26.04   50.86   20.93   6.1018
IC H12X  C311  *C31  H12Y   6.1018   20.93   12.33   17.62   4.3754
IC C311  C312  C313  C314   1.5387  114.20   55.56  115.80   1.5406
IC C314  C312  *C31  H13X   6.6649   21.48   -8.59   23.86   4.5356
IC H13X  C312  *C31  H13Y   4.5356   23.86   49.87   23.85   5.2123
IC C312  C313  C314  C315   1.5382  115.80   67.80  115.10   1.5406
IC C315  C313  *C31  H14X   7.8353    3.11  -88.74   14.50   6.7777
IC H14X  C313  *C31  H14Y   6.7777   14.50  -65.72   12.87   6.9758
IC C313  C314  C315  C316   1.5406  115.10  -91.14  115.66   1.5398
IC C316  C314  *C31  H15X   8.6157   13.11  -56.84   15.69   7.6256
IC H15X  C314  *C31  H15Y   7.6256   15.69  -29.61    6.65   8.6426
IC C314  C315  C316  C317   1.5406  115.66  -64.38  114.07   1.5364
IC C317  C315  *C31  H16X   9.3815   13.84  -45.58   15.69   8.0762
IC H16X  C315  *C31  H16Y   8.0762   15.69  -20.16    9.55   9.4547
IC C315  C316  C317  C318   1.5398  114.07 -177.03  113.16   1.5310
IC C318  C316  *C31  H17X  10.4025   11.11   68.75   10.20  10.0175
IC H17X  C316  *C31  H17Y  10.0175   10.20  -32.28   14.37   8.7694
IC C316  C317  C318  H18X   1.5364  113.16  -60.30  110.38   1.1114
IC H18X  C317  *C31  H18Y   9.9933   12.42   39.24    7.99  11.0428
IC H18X  C317  *C31  H18Z   9.9933   12.42  -35.35    7.42  11.1187


RESI DOPC         0.00 ! 2,3-dioleoyl-D-glycero-1-phosphatidylcholine
!
GROUP                  !               H15B
ATOM N    NTL    -0.60 !                 |
ATOM C12  CTL2   -0.10 !           H15A-C15-H15C
ATOM H12A HL      0.25 !                 |
ATOM H12B HL      0.25 !         H13B    |    H14A
ATOM C13  CTL5   -0.35 !           |     |     |
ATOM H13A HL      0.25 !     H13A-C13----N----C14-H14B     (+)
ATOM H13B HL      0.25 !           |     |     |
ATOM H13C HL      0.25 !         H13C    |    H14C
ATOM C14  CTL5   -0.35 !                 |
ATOM H14A HL      0.25 !                 |
ATOM H14B HL      0.25 !                 |    alpha6
ATOM H14C HL      0.25 !                 |
ATOM C15  CTL5   -0.35 !                 |
ATOM H15A HL      0.25 !          H12A--C12---H12B
ATOM H15B HL      0.25 !                 |
ATOM H15C HL      0.25 !                 |
GROUP                  !                 |     alpha5
ATOM C11  CTL2   -0.08 !                 |
ATOM H11A HAL2    0.09 !          H11A--C11---H11B
ATOM H11B HAL2    0.09 !                 |     alpha4
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.78 !              \ /      alpha3
ATOM O14  O2L    -0.78 !               P (+)
ATOM O12  OSLP   -0.57 !              / \      alpha2
ATOM O11  OSLP   -0.57 !        (-) O14  O11
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              |
ATOM H3R  HAL2    0.09 !        H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C24  CTL2   -0.18 !               |              |
ATOM H4R  HAL2    0.09 !        H4R ---C24---H4S      |
ATOM H4S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C25  CTL2   -0.18 !               |              |
ATOM H5R  HAL2    0.09 !        H5R ---C25---H5S      |
ATOM H5S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C26  CTL2   -0.18 !               |              |
ATOM H6R  HAL2    0.09 !        H6R ---C26---H6S      |
ATOM H6S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C27  CTL2   -0.18 !               |              |
ATOM H7R  HAL2    0.09 !        H7R ---C27---H7S      |
ATOM H7S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C28  CTL2   -0.18 !               |              |
ATOM H8R  HAL2    0.09 !        H8R ---C28---H8S      |
ATOM H8S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C29  CEL1   -0.15 !               |              |
ATOM H9R  HEL1    0.15 !        H9R ---C29            |
GROUP                  !               ||  (CIS)      |
ATOM C210 CEL1   -0.15 !               ||             |
ATOM H10R HEL1    0.15 !        H10R---C210           |
GROUP                  !               |              |
ATOM C211 CTL2   -0.18 !               |              |
ATOM H11R HAL2    0.09 !        H11R---C211--H11S     |
ATOM H11S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C212 CTL2   -0.18 !               |              |
ATOM H12R HAL2    0.09 !        H12R---C212--H12S     |
ATOM H12S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C213 CTL2   -0.18 !               |              |
ATOM H13R HAL2    0.09 !        H13R---C213--H13S     |
ATOM H13S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C214 CTL2   -0.18 !               |              |
ATOM H14R HAL2    0.09 !        H14R---C214--H14S     |
ATOM H14S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C215 CTL2   -0.18 !               |              |
ATOM H15R HAL2    0.09 !        H15R---C215--H15S     |
ATOM H15S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C216 CTL2   -0.18 !               |              |
ATOM H16R HAL2    0.09 !        H16R---C216--H16S     |
ATOM H16S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C217 CTL2   -0.18 !               |              |
ATOM H17R HAL2    0.09 !        H17R---C217--H17S     |
ATOM H17S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C218 CTL3   -0.27 !               |              |
ATOM H18R HAL3    0.09 !        H18R---C218--H18S     |
ATOM H18S HAL3    0.09 !               |              |
ATOM H18T HAL3    0.09 !              H18T            |
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |
ATOM H3X  HAL2    0.09 !                       H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C34  CTL2   -0.18 !                              |
ATOM H4X  HAL2    0.09 !                       H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C35  CTL2   -0.18 !                              |
ATOM H5X  HAL2    0.09 !                       H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C36  CTL2   -0.18 !                              |
ATOM H6X  HAL2    0.09 !                       H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C37  CTL2   -0.18 !                              |
ATOM H7X  HAL2    0.09 !                       H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C38  CTL2   -0.18 !                              |
ATOM H8X  HAL2    0.09 !                       H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C39  CEL1   -0.15 !                              |
ATOM H9X  HEL1    0.15 !                       H9X ---C39
GROUP                  !                              ||
ATOM C310 CEL1   -0.15 !                              ||
ATOM H10X HEL1    0.15 !                       H10X---C310
GROUP                  !                              |
ATOM C311 CTL2   -0.18 !                              |
ATOM H11X HAL2    0.09 !                       H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C312 CTL2   -0.18 !                              |
ATOM H12X HAL2    0.09 !                       H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C313 CTL2   -0.18 !                              |
ATOM H13X HAL2    0.09 !                       H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C314 CTL2   -0.18 !                              |
ATOM H14X HAL2    0.09 !                       H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C315 CTL2   -0.18 !                              |
ATOM H15X HAL2    0.09 !                       H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C316 CTL2   -0.18 !                              |
ATOM H16X HAL2    0.09 !                       H16X---C316--H16Y
ATOM H16Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C317 CTL2   -0.18 !                              |
ATOM H17X HAL2    0.09 !                       H17X---C317--H17Y
ATOM H17Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C318 CTL3   -0.27 !                              |
ATOM H18X HAL3    0.09 !                       H18X---C318--H18Y
ATOM H18Y HAL3    0.09 !                              |
ATOM H18Z HAL3    0.09 !                              H18Z
 
! Polar Head
BOND  N    C13       N    C14       N    C15
BOND  C13  H13A      C13  H13B      C13  H13C
BOND  C14  H14A      C14  H14B      C14  H14C
BOND  C15  H15A      C15  H15B      C15  H15C
BOND  N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R       
DOUBLE  C29 C210
BOND  C210 H10R      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X 
DOUBLE C39 C310
BOND  C310 H10X      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

IC C15    N      C12    C11        1.5031  108.03  -62.19  116.82   1.5409
IC C13    C12    *N     C14        1.4955  110.60  122.73  109.67   1.4976
IC C13    C12    *N     C15        1.4955  110.60 -119.76  108.04   1.5032
IC C13    N      C12    C11        1.4955  110.60   57.52  116.83   1.5412
IC C11    N      *C12   H12A       1.5412  116.83 -126.40  111.94   1.0787
IC H12A   N      *C12   H12B       1.0787  111.94 -116.29  108.17   1.0974
IC C14    N      C13    H13A       1.4976  110.99  179.50  109.35   1.0869
IC H13A   N      *C13   H13B       1.0869  109.35  118.93  111.32   1.0813
IC H13A   N      *C13   H13C       1.0869  109.35 -119.04  111.19   1.0811
IC C13    N      C14    H14A       1.4955  110.99 -179.22  109.65   1.0877
IC H14A   N      *C14   H14B       1.0877  109.65  118.74  110.91   1.0820
IC H14A   N      *C14   H14C       1.0877  109.65 -119.76  111.49   1.0812
IC C13    N      C15    H15A       1.4955  109.44  -64.69  111.04   1.0951
IC H15A   N      *C15   H15B       1.0951  111.04  123.93  113.87   1.0740
IC H15A   N      *C15   H15C       1.0951  111.04 -112.38  110.25   1.0938
IC N      C12    C11    O12        1.5223  116.83  127.52  108.22   1.4232
IC O12    C12    *C11   H11A       1.4232  108.22 -123.07  113.25   1.1138
IC H11A   C12    *C11   H11B       1.1138  113.25 -118.71  109.20   1.1129
IC C12    C11    O12    P          1.5412  108.22  -67.94  118.41   1.5875
IC C11    O12    P      O11        1.4232  118.41 -166.85  104.05   1.5781
IC O11    O12    *P     O13        1.5781  104.05  117.80  108.05   1.4795
IC O11    O12    *P     O14        1.5781  104.05 -117.37  106.82   1.4822
IC O12    P      O11    C1         1.5875  104.05  167.61  118.26   1.4316
IC P      O11    C1     C2         1.5781  118.26  168.12  110.80   1.5508
IC C2     O11    *C1    HA         1.5508  110.80 -119.17  111.41   1.1170
IC HA     O11    *C1    HB         1.1170  111.41 -120.80  110.01   1.1146
IC O11    C1     C2     C3         1.4316  110.80  176.77  110.71   1.5573
IC C3     C1     *C2    O21        1.5573  110.71  120.62  108.02   1.4410 !defines S chirality
IC C3     C1     *C2    HS         1.5573  110.71 -118.37  106.71   1.1170 !defines S chirality
IC C1     C2     O21    C21        1.5508  108.02  147.52  115.15   1.3177
IC C2     O21    C21    C22        1.4410  115.15  179.16  108.63   1.5289
IC C22    O21    *C21   O22        1.5289  108.63 -178.85  126.55   1.2187
IC O21    C21    C22    C23        1.3177  108.63 -177.70  112.21   1.5449
IC C23    C21    *C22   H2R        1.5449  112.21 -121.72  107.88   1.1092
IC H2R    C21    *C22   H2S        1.1092  107.88 -117.16  107.60   1.1093
IC C1     C2     C3     O31        1.5508  110.71  176.05  112.62   1.4438
IC O31    C2     *C3    HX         1.4438  112.62 -118.51  106.65   1.1128
IC HX     C2     *C3    HY         1.1128  106.65 -115.12  109.46   1.1145
IC C2     C3     O31    C31        1.5573  112.62   87.12  115.04   1.3313
IC C3     O31    C31    C32        1.4438  115.04 -172.98  108.55   1.5288
IC C32    O31    *C31   O32        1.5288  108.55 -178.89  125.60   1.2170
IC O31    C31    C32    C33        1.3313  108.55 -166.73  113.05   1.5447
IC C33    C31    *C32   H2X        1.5447  113.05 -121.10  107.23   1.1103
IC H2X    C31    *C32   H2Y        1.1103  107.23 -117.00  108.11   1.1090
IC C21    C22    C23    C24        1.5289  112.21  175.76  112.39   1.5338
IC C24    C22    *C23   H3R        1.5338  112.39 -120.69  109.57   1.1147
IC H3R    C22    *C23   H3S        1.1147  109.57 -117.65  109.64   1.1142
IC C22    C23    C24    C25        1.5449  112.39 -179.39  112.35   1.5346
IC C25    C23    *C24   H4R        1.5346  112.35 -121.52  109.41   1.1131
IC H4R    C23    *C24   H4S        1.1131  109.41 -117.57  108.97   1.1134
IC C23    C24    C25    C26        1.5338  112.35  176.31  112.80   1.5344
IC C26    C24    *C25   H5R        1.5344  112.80 -121.01  108.95   1.1135
IC H5R    C24    *C25   H5S        1.1135  108.95 -117.24  109.16   1.1132
IC C24    C25    C26    C27        1.5346  112.80 -179.44  112.48   1.5356
IC C27    C25    *C26   H6R        1.5356  112.48 -121.49  109.32   1.1129
IC H6R    C25    *C26   H6S        1.1129  109.32 -117.47  108.94   1.1132
IC C25    C26    C27    C28        1.5344  112.48  176.92  112.46   1.5398
IC C28    C26    *C27   H7R        1.5398  112.46 -121.38  108.40   1.1139
IC H7R    C26    *C27   H7S        1.1139  108.40 -116.93  108.77   1.1139
IC C26    C27    C28    C29        1.5356  112.46 -178.53  111.43   1.5097
IC C29    C27    *C28   H8R        1.5097  111.43 -123.58  107.80   1.1132
IC H8R    C27    *C28   H8S        1.1132  107.80 -115.43  108.37   1.1128
IC C27    C28    C29    C210       1.5398  111.43 -126.96  126.62   1.3465
IC C210   C28    *C29   H9R        1.3465  126.62  178.41  114.65   1.1012
IC C28    C29    C210   C211       1.5097  126.62   -1.69  126.32   1.5088
IC C211   C29    *C210  H10R       1.5088  126.32 -179.55  118.79   1.1012
IC C29    C210   C211   C212       1.3465  126.32   93.02  112.15   1.5392
IC C212   C210   *C211  H11R       1.5392  112.15 -121.30  111.28   1.1133
IC H11R   C210   *C211  H11S       1.1133  111.28 -117.50  110.00   1.1126
IC C210   C211   C212   C213       1.5088  112.15 -178.81  112.29   1.5354
IC C213   C211   *C212  H12R       1.5354  112.29 -121.34  109.78   1.1133
IC H12R   C211   *C212  H12S       1.1133  109.78 -118.01  109.42   1.1144
IC C211   C212   C213   C214       1.5392  112.29  179.81  112.68   1.5345
IC C214   C212   *C213  H13R       1.5345  112.68 -121.26  109.04   1.1132
IC H13R   C212   *C213  H13S       1.1132  109.04 -117.39  109.10   1.1131
IC C212   C213   C214   C215       1.5354  112.68  179.80  112.59   1.5347
IC C215   C213   *C214  H14R       1.5347  112.59 -121.29  109.09   1.1132
IC H14R   C213   *C214  H14S       1.1132  109.09 -117.37  109.11   1.1133
IC C213   C214   C215   C216       1.5345  112.59 -179.58  112.63   1.5347
IC C216   C214   *C215  H15R       1.5347  112.63 -121.36  109.09   1.1132
IC H15R   C214   *C215  H15S       1.1132  109.09 -117.38  109.07   1.1132
IC C214   C215   C216   C217       1.5347  112.63  179.65  112.69   1.5339
IC C217   C215   *C216  H16R       1.5339  112.69 -121.27  109.11   1.1132
IC H16R   C215   *C216  H16S       1.1132  109.11 -117.36  109.14   1.1132
IC C215   C216   C217   C218       1.5347  112.69 -179.93  113.30   1.5309
IC C218   C216   *C217  H17R       1.5309  113.30 -121.70  108.75   1.1140
IC H17R   C216   *C217  H17S       1.1140  108.75 -116.65  108.73   1.1141
IC C216   C217   C218   H18R       1.5339  113.30  -59.98  110.46   1.1113
IC H18R   C217   *C218  H18S       1.1113  110.46  119.84  110.45   1.1114
IC H18R   C217   *C218  H18T       1.1113  110.46 -120.09  110.62   1.1112
IC C31    C32    C33    C34        1.5288  113.05  179.24  111.73   1.5343
IC C34    C32    *C33   H3X        1.5343  111.73 -120.85  109.62   1.1140
IC H3X    C32    *C33   H3Y        1.1140  109.62 -117.95  109.78   1.1144
IC C32    C33    C34    C35        1.5447  111.73 -176.74  112.91   1.5345
IC C35    C33    *C34   H4X        1.5345  112.91 -121.67  109.15   1.1134
IC H4X    C33    *C34   H4Y        1.1134  109.15 -117.32  108.98   1.1134
IC C33    C34    C35    C36        1.5343  112.91  178.63  112.42   1.5349
IC C36    C34    *C35   H5X        1.5349  112.42 -120.99  108.94   1.1133
IC H5X    C34    *C35   H5Y        1.1133  108.94 -117.41  109.31   1.1131
IC C34    C35    C36    C37        1.5345  112.42 -176.73  112.80   1.5356
IC C37    C35    *C36   H6X        1.5356  112.80 -121.69  109.16   1.1130
IC H6X    C35    *C36   H6Y        1.1130  109.16 -117.32  108.94   1.1133
IC C35    C36    C37    C38        1.5349  112.80  178.92  112.27   1.5402
IC C38    C36    *C37   H7X        1.5402  112.27 -121.37  108.23   1.1139
IC H7X    C36    *C37   H7Y        1.1139  108.23 -117.01  109.05   1.1137
IC C36    C37    C38    C39        1.5356  112.27 -174.92  111.69   1.5099
IC C39    C37    *C38   H8X        1.5099  111.69 -124.14  107.77   1.1124
IC H8X    C37    *C38   H8Y        1.1124  107.77 -115.13  108.30   1.1128
IC C37    C38    C39    C310       1.5402  111.69 -121.39  127.35   1.3470
IC C310   C38    *C39   H9X        1.3470  127.35  179.11  114.24   1.1012
IC C38    C39    C310   C311       1.5099  127.35   -0.69  127.25   1.5096
IC C311   C39    *C310  H10X       1.5096  127.25  179.82  118.43   1.1012
IC C39    C310   C311   C312       1.3470  127.25  106.03  111.65   1.5393
IC C312   C310   *C311  H11X       1.5393  111.65 -121.49  112.10   1.1123
IC H11X   C310   *C311  H11Y       1.1123  112.10 -117.95  109.83   1.1127
IC C310   C311   C312   C313       1.5096  111.65  179.63  112.41   1.5355
IC C313   C311   *C312  H12X       1.5355  112.41 -121.09  109.75   1.1135
IC H12X   C311   *C312  H12Y       1.1135  109.75 -118.07  109.46   1.1143
IC C311   C312   C313   C314       1.5393  112.41 -178.89  112.60   1.5347
IC C314   C312   *C313  H13X       1.5347  112.60 -121.37  109.10   1.1131
IC H13X   C312   *C313  H13Y       1.1131  109.10 -117.41  109.08   1.1131
IC C312   C313   C314   C315       1.5355  112.60  179.88  112.66   1.5347
IC C315   C313   *C314  H14X       1.5347  112.66 -121.27  109.06   1.1132
IC H14X   C313   *C314  H14Y       1.1132  109.06 -117.36  109.14   1.1133
IC C313   C314   C315   C316       1.5347  112.66 -179.12  112.61   1.5348
IC C316   C314   *C315  H15X       1.5348  112.61 -121.34  109.09   1.1132
IC H15X   C314   *C315  H15Y       1.1132  109.09 -117.41  109.09   1.1132
IC C314   C315   C316   C317       1.5347  112.61  179.83  112.71   1.5340
IC C317   C315   *C316  H16X       1.5340  112.71 -121.28  109.10   1.1132
IC H16X   C315   *C316  H16Y       1.1132  109.10 -117.35  109.13   1.1133
IC C315   C316   C317   C318       1.5348  112.71 -179.67  113.30   1.5309
IC C318   C316   *C317  H17X       1.5309  113.30 -121.68  108.77   1.1141
IC H17X   C316   *C317  H17Y       1.1141  108.77 -116.68  108.76   1.1141
IC C316   C317   C318   H18X       1.5340  113.30  -59.94  110.46   1.1113
IC H18X   C317   *C318  H18Y       1.1113  110.46  119.86  110.45   1.1113
IC H18X   C317   *C318  H18Z       1.1113  110.46 -120.06  110.61   1.1112

RESI DOPE         0.00 ! 2,3-dioleoyl-D-glycero-1-phosphatidylethanolamine
!
!  R1 - CH2
!       |          (angles and atom names from Sundaralingam)
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH2 - NH3
!
! Polar Head and glycerol backbone
GROUP                 ! 
ATOM N    NH3L  -0.30 !           HN2
ATOM HN1  HCL    0.33 !            |
ATOM HN2  HCL    0.33 !  (+) HN1---N---HN3
ATOM HN3  HCL    0.33 !            |
ATOM C12  CTL2   0.13 !            |
ATOM H12A HAL2   0.09 !     H12A--C12---H12B
ATOM H12B HAL2   0.09 !            |
GROUP                 !            |     alpha5
ATOM C11  CTL2  -0.08 !            |
ATOM H11A HAL2   0.09 !     H11A--C11---H11B
ATOM H11B HAL2   0.09 !            |     alpha4
ATOM P    PL     1.50 !   (-) O13  O12
ATOM O13  O2L   -0.78 !         \ /      alpha3
ATOM O14  O2L   -0.78 !          P (+)
ATOM O11  OSLP  -0.57 !         / \      alpha2
ATOM O12  OSLP  -0.57 !   (-) O14  O11
ATOM C1   CTL2  -0.08 !            |     alpha1
ATOM HA   HAL2   0.09 !       HA---C1---HB
ATOM HB   HAL2   0.09 !            |     theta1
GROUP                 !            |
ATOM C2   CTL1   0.17 !       HS---C2- - - - - - -
ATOM HS   HAL1   0.09 !            | beta1        |
ATOM O21  OSL   -0.49 !       O22  O21          theta3
ATOM C21  CL     0.90 !        \\ /  beta2        |
ATOM O22  OBL   -0.63 !          C21
ATOM C22  CTL2  -0.22 !          |   beta3        |
ATOM H2R  HAL2   0.09 !   H2R---C22---H2S
ATOM H2S  HAL2   0.09 !          |                |
GROUP                 !              beta4
ATOM C3   CTL2   0.08 !          |                |
ATOM HX   HAL2   0.09 !                      HX---C3---HY
ATOM HY   HAL2   0.09 !          |                |   gamma1
ATOM O31  OSL   -0.49 !                      O32  O31
ATOM C31  CL     0.90 !          |            \\ /    gamma2
ATOM O32  OBL   -0.63 !                         C31
ATOM C32  CTL2  -0.22 !          |              |     gamma3
ATOM H2X  HAL2   0.09 !                  H2X---C32---H2Y
ATOM H2Y  HAL2   0.09 !          |              |
GROUP                 !                               gamma4
ATOM C23  CTL2  -0.18 !          |              |
ATOM H3R  HAL2   0.09 !   H3R ---C23---H3S      |
ATOM H3S  HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C24  CTL2  -0.18 !          |              |
ATOM H4R  HAL2   0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C25  CTL2  -0.18 !          |              |
ATOM H5R  HAL2   0.09 !   H5R ---C25---H5S      |
ATOM H5S  HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C26  CTL2  -0.18 !          |              |
ATOM H6R  HAL2   0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C27  CTL2  -0.18 !          |              |
ATOM H7R  HAL2   0.09 !   H7R ---C27---H7S      |
ATOM H7S  HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C28  CTL2  -0.18 !          |              |
ATOM H8R  HAL2   0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C29  CEL1  -0.15 !          |              |
ATOM H9R  HEL1   0.15 !   H9R ---C29            |
GROUP                 !          ||  (CIS)      |
ATOM C210 CEL1  -0.15 !          ||             |
ATOM H10R HEL1   0.15 !   H10R---C210           |
GROUP                 !          |              |
ATOM C211 CTL2  -0.18 !          |              |
ATOM H11R HAL2   0.09 !   H11R---C211--H11S     |
ATOM H11S HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C212 CTL2  -0.18 !          |              |
ATOM H12R HAL2   0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C213 CTL2  -0.18 !          |              |
ATOM H13R HAL2   0.09 !   H13R---C213--H13S     |
ATOM H13S HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C214 CTL2  -0.18 !          |              |
ATOM H14R HAL2   0.09 !   H14R---C214--H14S     |
ATOM H14S HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C215 CTL2  -0.18 !          |              |
ATOM H15R HAL2   0.09 !   H15R---C215--H15S     |
ATOM H15S HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C216 CTL2  -0.18 !          |              |
ATOM H16R HAL2   0.09 !   H16R---C216--H16S     |
ATOM H16S HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C217 CTL2  -0.18 !          |              |
ATOM H17R HAL2   0.09 !   H17R---C217--H17S     |
ATOM H17S HAL2   0.09 !          |              |
GROUP                 !          |              |
ATOM C218 CTL3  -0.27 !          |              |
ATOM H18R HAL3   0.09 !   H18R---C218--H18S     |
ATOM H18S HAL3   0.09 !          |              |
ATOM H18T HAL3   0.09 !         H18T            |
GROUP                 !                         |
ATOM C33  CTL2  -0.18 !                         |
ATOM H3X  HAL2   0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C34  CTL2  -0.18 !                         |
ATOM H4X  HAL2   0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C35  CTL2  -0.18 !                         |
ATOM H5X  HAL2   0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C36  CTL2  -0.18 !                         |
ATOM H6X  HAL2   0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C37  CTL2  -0.18 !                         |
ATOM H7X  HAL2   0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C38  CTL2  -0.18 !                         |
ATOM H8X  HAL2   0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C39  CEL1  -0.15 !                         |
ATOM H9X  HEL1   0.15 !                  H9X ---C39
GROUP                 !                         ||
ATOM C310 CEL1  -0.15 !                         ||
ATOM H10X HEL1   0.15 !                  H10X---C310
GROUP                 !                         |
ATOM C311 CTL2  -0.18 !                         |
ATOM H11X HAL2   0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C312 CTL2  -0.18 !                         |
ATOM H12X HAL2   0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C313 CTL2  -0.18 !                         |
ATOM H13X HAL2   0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C314 CTL2  -0.18 !                         |
ATOM H14X HAL2   0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C315 CTL2  -0.18 !                         |
ATOM H15X HAL2   0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C316 CTL2  -0.18 !                         |
ATOM H16X HAL2   0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C317 CTL2  -0.18 !                         |
ATOM H17X HAL2   0.09 !                  H17X---C317--H17Y
ATOM H17Y HAL2   0.09 !                         |
GROUP                 !                         |
ATOM C318 CTL3  -0.27 !                         |
ATOM H18X HAL3   0.09 !                  H18X---C318--H18Y
ATOM H18Y HAL3   0.09 !                         |
ATOM H18Z HAL3   0.09 !                         H18Z
 
! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        C1   O11
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R
DOUBLE  C29 C210
BOND  C210 H10R      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X
DOUBLE C39 C310
BOND  C310 H10X      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z

IMPR C21 O21 C22 O22   C31 O31 C32 O32

IC N      C12    C11    O12        1.5110  111.97   65.84  112.46   1.4308
IC HN1    C12    *N     HN2        1.0342  114.60  119.70  105.60   1.0654
IC HN1    C12    *N     HN3        1.0342  114.60 -127.78  110.56   1.0397
IC HN1    N      C12    C11        1.0342  114.60 -177.91  111.97   1.5465
IC C11    N      *C12   H12A       1.5465  111.97 -121.58  107.97   1.1086
IC H12A   N      *C12   H12B       1.1086  107.97 -118.25  107.67   1.1104
IC O12    C12    *C11   H11A       1.4308  112.46 -126.31  111.01   1.1167
IC H11A   C12    *C11   H11B       1.1167  111.01 -115.41  107.63   1.1146
IC C12    C11    O12    P          1.5465  112.46  -80.62  120.62   1.5839
IC C11    O12    P      O11        1.4308  120.62 -156.78  104.60   1.5751
IC O11    O12    *P     O13        1.5751  104.60 -117.47  103.31   1.4823
IC O11    O12    *P     O14        1.5751  104.60  120.67  107.16   1.4736
IC O12    P      O11    C1         1.5839  104.60  -58.82  120.34   1.4318
IC P      O11    C1     C2         1.5751  120.34  -92.48  111.72   1.5536
IC C2     O11    *C1    HA         1.5536  111.72 -119.08  108.93   1.1133
IC HA     O11    *C1    HB         1.1133  108.93 -117.83  112.18   1.1155
IC O11    C1     C2     C3         1.4318  111.72  162.49  110.59   1.5553
IC C3     C1     *C2    O21        1.5553  110.59  120.51  108.20   1.4410
IC C3     C1     *C2    HS         1.5553  110.59 -117.47  107.37   1.1169
IC C1     C2     O21    C21        1.5536  108.20  145.45  115.07   1.3229
IC C2     O21    C21    C22        1.4410  115.07  175.60  109.17   1.5330
IC C22    O21    *C21   O22        1.5330  109.17  179.92  126.38   1.2173
IC O21    C21    C22    C23        1.3229  109.17 -134.07  111.55   1.5472
IC C23    C21    *C22   H2R        1.5472  111.55 -119.81  106.70   1.1095
IC H2R    C21    *C22   H2S        1.1095  106.70 -117.59  109.58   1.1081
IC C1     C2     C3     O31        1.5536  110.59  178.88  111.62   1.4432
IC O31    C2     *C3    HX         1.4432  111.62 -121.40  107.66   1.1142
IC HX     C2     *C3    HY         1.1142  107.66 -116.77  107.26   1.1152
IC C2     C3     O31    C31        1.5553  111.62  174.54  113.52   1.3270
IC C3     O31    C31    C32        1.4432  113.52  178.76  109.19   1.5276
IC C32    O31    *C31   O32        1.5276  109.19 -179.68  125.26   1.2176
IC O31    C31    C32    C33        1.3270  109.19 -153.26  112.50   1.5449
IC C33    C31    *C32   H2X        1.5449  112.50  120.40  107.84   1.1092
IC H2X    C31    *C32   H2Y        1.1092  107.84  117.16  108.28   1.1081
IC C21    C22    C23    C24        1.5289  112.21  175.76  112.39   1.5338
IC C24    C22    *C23   H3R        1.5338  112.39 -120.69  109.57   1.1147
IC H3R    C22    *C23   H3S        1.1147  109.57 -117.65  109.64   1.1142
IC C22    C23    C24    C25        1.5449  112.39 -179.39  112.35   1.5346
IC C25    C23    *C24   H4R        1.5346  112.35 -121.52  109.41   1.1131
IC H4R    C23    *C24   H4S        1.1131  109.41 -117.57  108.97   1.1134
IC C23    C24    C25    C26        1.5338  112.35  176.31  112.80   1.5344
IC C26    C24    *C25   H5R        1.5344  112.80 -121.01  108.95   1.1135
IC H5R    C24    *C25   H5S        1.1135  108.95 -117.24  109.16   1.1132
IC C24    C25    C26    C27        1.5346  112.80 -179.44  112.48   1.5356
IC C27    C25    *C26   H6R        1.5356  112.48 -121.49  109.32   1.1129
IC H6R    C25    *C26   H6S        1.1129  109.32 -117.47  108.94   1.1132
IC C25    C26    C27    C28        1.5344  112.48  176.92  112.46   1.5398
IC C28    C26    *C27   H7R        1.5398  112.46 -121.38  108.40   1.1139
IC H7R    C26    *C27   H7S        1.1139  108.40 -116.93  108.77   1.1139
IC C26    C27    C28    C29        1.5356  112.46 -178.53  111.43   1.5097
IC C29    C27    *C28   H8R        1.5097  111.43 -123.58  107.80   1.1132
IC H8R    C27    *C28   H8S        1.1132  107.80 -115.43  108.37   1.1128
IC C27    C28    C29    C210       1.5398  111.43 -126.96  126.62   1.3465
IC C210   C28    *C29   H9R        1.3465  126.62  178.41  114.65   1.1012
IC C28    C29    C210   C211       1.5097  126.62   -1.69  126.32   1.5088
IC C211   C29    *C210  H10R       1.5088  126.32 -179.55  118.79   1.1012
IC C29    C210   C211   C212       1.3465  126.32   93.02  112.15   1.5392
IC C212   C210   *C211  H11R       1.5392  112.15 -121.30  111.28   1.1133
IC H11R   C210   *C211  H11S       1.1133  111.28 -117.50  110.00   1.1126
IC C210   C211   C212   C213       1.5088  112.15 -178.81  112.29   1.5354
IC C213   C211   *C212  H12R       1.5354  112.29 -121.34  109.78   1.1133
IC H12R   C211   *C212  H12S       1.1133  109.78 -118.01  109.42   1.1144
IC C211   C212   C213   C214       1.5392  112.29  179.81  112.68   1.5345
IC C214   C212   *C213  H13R       1.5345  112.68 -121.26  109.04   1.1132
IC H13R   C212   *C213  H13S       1.1132  109.04 -117.39  109.10   1.1131
IC C212   C213   C214   C215       1.5354  112.68  179.80  112.59   1.5347
IC C215   C213   *C214  H14R       1.5347  112.59 -121.29  109.09   1.1132
IC H14R   C213   *C214  H14S       1.1132  109.09 -117.37  109.11   1.1133
IC C213   C214   C215   C216       1.5345  112.59 -179.58  112.63   1.5347
IC C216   C214   *C215  H15R       1.5347  112.63 -121.36  109.09   1.1132
IC H15R   C214   *C215  H15S       1.1132  109.09 -117.38  109.07   1.1132
IC C214   C215   C216   C217       1.5347  112.63  179.65  112.69   1.5339
IC C217   C215   *C216  H16R       1.5339  112.69 -121.27  109.11   1.1132
IC H16R   C215   *C216  H16S       1.1132  109.11 -117.36  109.14   1.1132
IC C215   C216   C217   C218       1.5347  112.69 -179.93  113.30   1.5309
IC C218   C216   *C217  H17R       1.5309  113.30 -121.70  108.75   1.1140
IC H17R   C216   *C217  H17S       1.1140  108.75 -116.65  108.73   1.1141
IC C216   C217   C218   H18R       1.5339  113.30  -59.98  110.46   1.1113
IC H18R   C217   *C218  H18S       1.1113  110.46  119.84  110.45   1.1114
IC H18R   C217   *C218  H18T       1.1113  110.46 -120.09  110.62   1.1112
IC C31    C32    C33    C34        1.5288  113.05  179.24  111.73   1.5343
IC C34    C32    *C33   H3X        1.5343  111.73 -120.85  109.62   1.1140
IC H3X    C32    *C33   H3Y        1.1140  109.62 -117.95  109.78   1.1144
IC C32    C33    C34    C35        1.5447  111.73 -176.74  112.91   1.5345
IC C35    C33    *C34   H4X        1.5345  112.91 -121.67  109.15   1.1134
IC H4X    C33    *C34   H4Y        1.1134  109.15 -117.32  108.98   1.1134
IC C33    C34    C35    C36        1.5343  112.91  178.63  112.42   1.5349
IC C36    C34    *C35   H5X        1.5349  112.42 -120.99  108.94   1.1133
IC H5X    C34    *C35   H5Y        1.1133  108.94 -117.41  109.31   1.1131
IC C34    C35    C36    C37        1.5345  112.42 -176.73  112.80   1.5356
IC C37    C35    *C36   H6X        1.5356  112.80 -121.69  109.16   1.1130
IC H6X    C35    *C36   H6Y        1.1130  109.16 -117.32  108.94   1.1133
IC C35    C36    C37    C38        1.5349  112.80  178.92  112.27   1.5402
IC C38    C36    *C37   H7X        1.5402  112.27 -121.37  108.23   1.1139
IC H7X    C36    *C37   H7Y        1.1139  108.23 -117.01  109.05   1.1137
IC C36    C37    C38    C39        1.5356  112.27 -174.92  111.69   1.5099
IC C39    C37    *C38   H8X        1.5099  111.69 -124.14  107.77   1.1124
IC H8X    C37    *C38   H8Y        1.1124  107.77 -115.13  108.30   1.1128
IC C37    C38    C39    C310       1.5402  111.69 -121.39  127.35   1.3470
IC C310   C38    *C39   H9X        1.3470  127.35  179.11  114.24   1.1012
IC C38    C39    C310   C311       1.5099  127.35   -0.69  127.25   1.5096
IC C311   C39    *C310  H10X       1.5096  127.25  179.82  118.43   1.1012
IC C39    C310   C311   C312       1.3470  127.25  106.03  111.65   1.5393
IC C312   C310   *C311  H11X       1.5393  111.65 -121.49  112.10   1.1123
IC H11X   C310   *C311  H11Y       1.1123  112.10 -117.95  109.83   1.1127
IC C310   C311   C312   C313       1.5096  111.65  179.63  112.41   1.5355
IC C313   C311   *C312  H12X       1.5355  112.41 -121.09  109.75   1.1135
IC H12X   C311   *C312  H12Y       1.1135  109.75 -118.07  109.46   1.1143
IC C311   C312   C313   C314       1.5393  112.41 -178.89  112.60   1.5347
IC C314   C312   *C313  H13X       1.5347  112.60 -121.37  109.10   1.1131
IC H13X   C312   *C313  H13Y       1.1131  109.10 -117.41  109.08   1.1131
IC C312   C313   C314   C315       1.5355  112.60  179.88  112.66   1.5347
IC C315   C313   *C314  H14X       1.5347  112.66 -121.27  109.06   1.1132
IC H14X   C313   *C314  H14Y       1.1132  109.06 -117.36  109.14   1.1133
IC C313   C314   C315   C316       1.5347  112.66 -179.12  112.61   1.5348
IC C316   C314   *C315  H15X       1.5348  112.61 -121.34  109.09   1.1132
IC H15X   C314   *C315  H15Y       1.1132  109.09 -117.41  109.09   1.1132
IC C314   C315   C316   C317       1.5347  112.61  179.83  112.71   1.5340
IC C317   C315   *C316  H16X       1.5340  112.71 -121.28  109.10   1.1132
IC H16X   C315   *C316  H16Y       1.1132  109.10 -117.35  109.13   1.1133
IC C315   C316   C317   C318       1.5348  112.71 -179.67  113.30   1.5309
IC C318   C316   *C317  H17X       1.5309  113.30 -121.68  108.77   1.1141
IC H17X   C316   *C317  H17Y       1.1141  108.77 -116.68  108.76   1.1141
IC C316   C317   C318   H18X       1.5340  113.30  -59.94  110.46   1.1113
IC H18X   C317   *C318  H18Y       1.1113  110.46  119.86  110.45   1.1113
IC H18X   C317   *C318  H18Z       1.1113  110.46 -120.06  110.61   1.1112

RESI DOPS        -1.00 ! 2,3-dioleoyl-D-glycero-1-phosphatidylserine
!
!  R1 - CH2        
!       |                 (-)
!  R2 - CH                CO2
!       |     (-)         |    (+)
!       CH2 - PO4 - CH2 - CH - NH3
!
! Polar Head and glycerol backbone
GROUP                  !
ATOM N    NH3L   -0.30 !                HN2
ATOM HN1  HCL     0.33 !                 |
ATOM HN2  HCL     0.33 !                 |
ATOM HN3  HCL     0.33 !                 |
ATOM C12  CTL1    0.21 !       (+) HN1---N---HN3
ATOM H12A HBL     0.10 !                 |
GROUP                  !                 |     O13A (-)
ATOM C13  CCL     0.34 !                 |     ||
ATOM O13A OCL    -0.67 !          H12A--C12----C13---O13B
ATOM O13B OCL    -0.67 !                 |
GROUP                  !                 |     alpha5
ATOM C11  CTL2   -0.08 !                 |
ATOM H11A HAL2    0.09 !          H11A--C11---H11B
ATOM H11B HAL2    0.09 !                 |     alpha4
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.78 !              \ /      alpha3
ATOM O14  O2L    -0.78 !               P (+)
ATOM O12  OSLP   -0.57 !              / \      alpha2
ATOM O11  OSLP   -0.57 !        (-) O14  O11
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              |
ATOM H3R  HAL2    0.09 !        H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C24  CTL2   -0.18 !               |              |
ATOM H4R  HAL2    0.09 !        H4R ---C24---H4S      |
ATOM H4S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C25  CTL2   -0.18 !               |              |
ATOM H5R  HAL2    0.09 !        H5R ---C25---H5S      |
ATOM H5S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C26  CTL2   -0.18 !               |              |
ATOM H6R  HAL2    0.09 !        H6R ---C26---H6S      |
ATOM H6S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C27  CTL2   -0.18 !               |              |
ATOM H7R  HAL2    0.09 !        H7R ---C27---H7S      |
ATOM H7S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C28  CTL2   -0.18 !               |              |
ATOM H8R  HAL2    0.09 !        H8R ---C28---H8S      |
ATOM H8S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C29  CEL1   -0.15 !               |              |
ATOM H9R  HEL1    0.15 !        H9R ---C29            |
GROUP                  !               ||  (CIS)      |
ATOM C210 CEL1   -0.15 !               ||             |
ATOM H10R HEL1    0.15 !        H10R---C210           |
GROUP                  !               |              |
ATOM C211 CTL2   -0.18 !               |              |
ATOM H11R HAL2    0.09 !        H11R---C211--H11S     |
ATOM H11S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C212 CTL2   -0.18 !               |              |
ATOM H12R HAL2    0.09 !        H12R---C212--H12S     |
ATOM H12S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C213 CTL2   -0.18 !               |              |
ATOM H13R HAL2    0.09 !        H13R---C213--H13S     |
ATOM H13S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C214 CTL2   -0.18 !               |              |
ATOM H14R HAL2    0.09 !        H14R---C214--H14S     |
ATOM H14S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C215 CTL2   -0.18 !               |              |
ATOM H15R HAL2    0.09 !        H15R---C215--H15S     |
ATOM H15S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C216 CTL2   -0.18 !               |              |
ATOM H16R HAL2    0.09 !        H16R---C216--H16S     |
ATOM H16S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C217 CTL2   -0.18 !               |              |
ATOM H17R HAL2    0.09 !        H17R---C217--H17S     |
ATOM H17S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C218 CTL3   -0.27 !               |              |
ATOM H18R HAL3    0.09 !        H18R---C218--H18S     |
ATOM H18S HAL3    0.09 !               |              |
ATOM H18T HAL3    0.09 !              H18T            |
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |
ATOM H3X  HAL2    0.09 !                       H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C34  CTL2   -0.18 !                              |
ATOM H4X  HAL2    0.09 !                       H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C35  CTL2   -0.18 !                              |
ATOM H5X  HAL2    0.09 !                       H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C36  CTL2   -0.18 !                              |
ATOM H6X  HAL2    0.09 !                       H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C37  CTL2   -0.18 !                              |
ATOM H7X  HAL2    0.09 !                       H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C38  CTL2   -0.18 !                              |
ATOM H8X  HAL2    0.09 !                       H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C39  CEL1   -0.15 !                              |
ATOM H9X  HEL1    0.15 !                       H9X ---C39
GROUP                  !                              ||
ATOM C310 CEL1   -0.15 !                              ||
ATOM H10X HEL1    0.15 !                       H10X---C310
GROUP                  !                              |
ATOM C311 CTL2   -0.18 !                              |
ATOM H11X HAL2    0.09 !                       H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C312 CTL2   -0.18 !                              |
ATOM H12X HAL2    0.09 !                       H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C313 CTL2   -0.18 !                              |
ATOM H13X HAL2    0.09 !                       H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C314 CTL2   -0.18 !                              |
ATOM H14X HAL2    0.09 !                       H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C315 CTL2   -0.18 !                              |
ATOM H15X HAL2    0.09 !                       H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C316 CTL2   -0.18 !                              |
ATOM H16X HAL2    0.09 !                       H16X---C316--H16Y
ATOM H16Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C317 CTL2   -0.18 !                              |
ATOM H17X HAL2    0.09 !                       H17X---C317--H17Y
ATOM H17Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C318 CTL3   -0.27 !                              |
ATOM H18X HAL3    0.09 !                       H18X---C318--H18Y
ATOM H18Y HAL3    0.09 !                              |
ATOM H18Z HAL3    0.09 !                              H18Z
 
! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  O13B C13       C13  C12
DOUBLE  C13 O13A
BOND  C12  H12A      C12  C11       C1   O11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R
DOUBLE  C29 C210
BOND  C210 H10R      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X
DOUBLE C39 C310
BOND  C310 H10X      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32  C13 C12 O13B O13A

IC N      C12    C11    O12        1.4924  109.59  -36.83  114.43   1.4356
IC N      C12    C13    O13B       1.4924  110.59 -179.72  118.02   1.2545
IC HN1    C12    *N     HN2        1.0346  106.39  118.04  106.67   1.0582
IC HN1    C12    *N     HN3        1.0346  106.39 -118.31  107.13   1.0373
IC HN1    N      C12    C11        1.0346  106.39  -47.71  109.59   1.5667
IC C11    N      *C12   C13        1.5667  109.59  124.17  110.59   1.5415
IC C13    N      *C12   H12A       1.5415  110.59  116.85  107.76   1.0804
IC O13B   C12    *C13   O13A       1.2545  118.02 -178.76  118.14   1.2642
IC O12    C12    *C11   H11A       1.4356  114.43 -124.67  108.62   1.1152
IC H11A   C12    *C11   H11B       1.1152  108.62 -115.01  108.11   1.1136
IC C12    C11    O12    P          1.5667  114.43  -57.62  123.15   1.5823
IC C11    O12    P      O11        1.4356  123.15  -33.91  102.25   1.5778
IC O11    O12    *P     O13        1.5778  102.25  113.53  104.91   1.4849
IC O11    O12    *P     O14        1.5778  102.25 -117.35  110.47   1.4716
IC O12    P      O11    C1         1.5823  102.25  153.73  122.12   1.4299
IC P      O11    C1     C2         1.5778  122.12  103.33  112.63   1.5620
IC C2     O11    *C1    HA         1.5620  112.63 -124.50  113.71   1.1165
IC HA     O11    *C1    HB         1.1165  113.71 -117.26  106.84   1.1126
IC O11    C1     C2     C3         1.4299  112.63   11.79  111.98   1.5610
IC C3     C1     *C2    O21        1.5610  111.98  121.40  109.82   1.4435
IC C3     C1     *C2    HS         1.5610  111.98 -117.10  108.48   1.1163
IC C1     C2     O21    C21        1.5620  109.82   68.92  114.10   1.3212
IC C2     O21    C21    C22        1.4435  114.10 -166.83  108.56   1.5296
IC C22    O21    *C21   O22        1.5296  108.56  178.35  126.33   1.2167
IC O21    C21    C22    C23        1.3212  108.56  171.14  112.38   1.5479
IC C23    C21    *C22   H2R        1.5479  112.38 -120.89  106.82   1.1096
IC H2R    C21    *C22   H2S        1.1096  106.82 -116.68  108.48   1.1079
IC C1     C2     C3     O31        1.5620  111.98  166.06  113.99   1.4460
IC O31    C2     *C3    HX         1.4460  113.99 -119.10  106.66   1.1129
IC HX     C2     *C3    HY         1.1129  106.66 -115.17  109.32   1.1144
IC C2     C3     O31    C31        1.5610  113.99   74.23  115.62   1.3230
IC C3     O31    C31    C32        1.4460  115.62  177.35  110.26   1.5339
IC C32    O31    *C31   O32        1.5339  110.26 -179.39  126.39   1.2158
IC O31    C31    C32    C33        1.3230  110.26   15.26  114.53   1.5470
IC C33    C31    *C32   H2X        1.5470  114.53  121.61  106.59   1.1100
IC H2X    C31    *C32   H2Y        1.1100  106.59  116.04  107.18   1.1088
IC C21    C22    C23    C24        1.5289  112.21  175.76  112.39   1.5338
IC C24    C22    *C23   H3R        1.5338  112.39 -120.69  109.57   1.1147
IC H3R    C22    *C23   H3S        1.1147  109.57 -117.65  109.64   1.1142
IC C22    C23    C24    C25        1.5449  112.39 -179.39  112.35   1.5346
IC C25    C23    *C24   H4R        1.5346  112.35 -121.52  109.41   1.1131
IC H4R    C23    *C24   H4S        1.1131  109.41 -117.57  108.97   1.1134
IC C23    C24    C25    C26        1.5338  112.35  176.31  112.80   1.5344
IC C26    C24    *C25   H5R        1.5344  112.80 -121.01  108.95   1.1135
IC H5R    C24    *C25   H5S        1.1135  108.95 -117.24  109.16   1.1132
IC C24    C25    C26    C27        1.5346  112.80 -179.44  112.48   1.5356
IC C27    C25    *C26   H6R        1.5356  112.48 -121.49  109.32   1.1129
IC H6R    C25    *C26   H6S        1.1129  109.32 -117.47  108.94   1.1132
IC C25    C26    C27    C28        1.5344  112.48  176.92  112.46   1.5398
IC C28    C26    *C27   H7R        1.5398  112.46 -121.38  108.40   1.1139
IC H7R    C26    *C27   H7S        1.1139  108.40 -116.93  108.77   1.1139
IC C26    C27    C28    C29        1.5356  112.46 -178.53  111.43   1.5097
IC C29    C27    *C28   H8R        1.5097  111.43 -123.58  107.80   1.1132
IC H8R    C27    *C28   H8S        1.1132  107.80 -115.43  108.37   1.1128
IC C27    C28    C29    C210       1.5398  111.43 -126.96  126.62   1.3465
IC C210   C28    *C29   H9R        1.3465  126.62  178.41  114.65   1.1012
IC C28    C29    C210   C211       1.5097  126.62   -1.69  126.32   1.5088
IC C211   C29    *C210  H10R       1.5088  126.32 -179.55  118.79   1.1012
IC C29    C210   C211   C212       1.3465  126.32   93.02  112.15   1.5392
IC C212   C210   *C211  H11R       1.5392  112.15 -121.30  111.28   1.1133
IC H11R   C210   *C211  H11S       1.1133  111.28 -117.50  110.00   1.1126
IC C210   C211   C212   C213       1.5088  112.15 -178.81  112.29   1.5354
IC C213   C211   *C212  H12R       1.5354  112.29 -121.34  109.78   1.1133
IC H12R   C211   *C212  H12S       1.1133  109.78 -118.01  109.42   1.1144
IC C211   C212   C213   C214       1.5392  112.29  179.81  112.68   1.5345
IC C214   C212   *C213  H13R       1.5345  112.68 -121.26  109.04   1.1132
IC H13R   C212   *C213  H13S       1.1132  109.04 -117.39  109.10   1.1131
IC C212   C213   C214   C215       1.5354  112.68  179.80  112.59   1.5347
IC C215   C213   *C214  H14R       1.5347  112.59 -121.29  109.09   1.1132
IC H14R   C213   *C214  H14S       1.1132  109.09 -117.37  109.11   1.1133
IC C213   C214   C215   C216       1.5345  112.59 -179.58  112.63   1.5347
IC C216   C214   *C215  H15R       1.5347  112.63 -121.36  109.09   1.1132
IC H15R   C214   *C215  H15S       1.1132  109.09 -117.38  109.07   1.1132
IC C214   C215   C216   C217       1.5347  112.63  179.65  112.69   1.5339
IC C217   C215   *C216  H16R       1.5339  112.69 -121.27  109.11   1.1132
IC H16R   C215   *C216  H16S       1.1132  109.11 -117.36  109.14   1.1132
IC C215   C216   C217   C218       1.5347  112.69 -179.93  113.30   1.5309
IC C218   C216   *C217  H17R       1.5309  113.30 -121.70  108.75   1.1140
IC H17R   C216   *C217  H17S       1.1140  108.75 -116.65  108.73   1.1141
IC C216   C217   C218   H18R       1.5339  113.30  -59.98  110.46   1.1113
IC H18R   C217   *C218  H18S       1.1113  110.46  119.84  110.45   1.1114
IC H18R   C217   *C218  H18T       1.1113  110.46 -120.09  110.62   1.1112
IC C31    C32    C33    C34        1.5288  113.05  179.24  111.73   1.5343
IC C34    C32    *C33   H3X        1.5343  111.73 -120.85  109.62   1.1140
IC H3X    C32    *C33   H3Y        1.1140  109.62 -117.95  109.78   1.1144
IC C32    C33    C34    C35        1.5447  111.73 -176.74  112.91   1.5345
IC C35    C33    *C34   H4X        1.5345  112.91 -121.67  109.15   1.1134
IC H4X    C33    *C34   H4Y        1.1134  109.15 -117.32  108.98   1.1134
IC C33    C34    C35    C36        1.5343  112.91  178.63  112.42   1.5349
IC C36    C34    *C35   H5X        1.5349  112.42 -120.99  108.94   1.1133
IC H5X    C34    *C35   H5Y        1.1133  108.94 -117.41  109.31   1.1131
IC C34    C35    C36    C37        1.5345  112.42 -176.73  112.80   1.5356
IC C37    C35    *C36   H6X        1.5356  112.80 -121.69  109.16   1.1130
IC H6X    C35    *C36   H6Y        1.1130  109.16 -117.32  108.94   1.1133
IC C35    C36    C37    C38        1.5349  112.80  178.92  112.27   1.5402
IC C38    C36    *C37   H7X        1.5402  112.27 -121.37  108.23   1.1139
IC H7X    C36    *C37   H7Y        1.1139  108.23 -117.01  109.05   1.1137
IC C36    C37    C38    C39        1.5356  112.27 -174.92  111.69   1.5099
IC C39    C37    *C38   H8X        1.5099  111.69 -124.14  107.77   1.1124
IC H8X    C37    *C38   H8Y        1.1124  107.77 -115.13  108.30   1.1128
IC C37    C38    C39    C310       1.5402  111.69 -121.39  127.35   1.3470
IC C310   C38    *C39   H9X        1.3470  127.35  179.11  114.24   1.1012
IC C38    C39    C310   C311       1.5099  127.35   -0.69  127.25   1.5096
IC C311   C39    *C310  H10X       1.5096  127.25  179.82  118.43   1.1012
IC C39    C310   C311   C312       1.3470  127.25  106.03  111.65   1.5393
IC C312   C310   *C311  H11X       1.5393  111.65 -121.49  112.10   1.1123
IC H11X   C310   *C311  H11Y       1.1123  112.10 -117.95  109.83   1.1127
IC C310   C311   C312   C313       1.5096  111.65  179.63  112.41   1.5355
IC C313   C311   *C312  H12X       1.5355  112.41 -121.09  109.75   1.1135
IC H12X   C311   *C312  H12Y       1.1135  109.75 -118.07  109.46   1.1143
IC C311   C312   C313   C314       1.5393  112.41 -178.89  112.60   1.5347
IC C314   C312   *C313  H13X       1.5347  112.60 -121.37  109.10   1.1131
IC H13X   C312   *C313  H13Y       1.1131  109.10 -117.41  109.08   1.1131
IC C312   C313   C314   C315       1.5355  112.60  179.88  112.66   1.5347
IC C315   C313   *C314  H14X       1.5347  112.66 -121.27  109.06   1.1132
IC H14X   C313   *C314  H14Y       1.1132  109.06 -117.36  109.14   1.1133
IC C313   C314   C315   C316       1.5347  112.66 -179.12  112.61   1.5348
IC C316   C314   *C315  H15X       1.5348  112.61 -121.34  109.09   1.1132
IC H15X   C314   *C315  H15Y       1.1132  109.09 -117.41  109.09   1.1132
IC C314   C315   C316   C317       1.5347  112.61  179.83  112.71   1.5340
IC C317   C315   *C316  H16X       1.5340  112.71 -121.28  109.10   1.1132
IC H16X   C315   *C316  H16Y       1.1132  109.10 -117.35  109.13   1.1133
IC C315   C316   C317   C318       1.5348  112.71 -179.67  113.30   1.5309
IC C318   C316   *C317  H17X       1.5309  113.30 -121.68  108.77   1.1141
IC H17X   C316   *C317  H17Y       1.1141  108.77 -116.68  108.76   1.1141
IC C316   C317   C318   H18X       1.5340  113.30  -59.94  110.46   1.1113
IC H18X   C317   *C318  H18Y       1.1113  110.46  119.86  110.45   1.1113
IC H18X   C317   *C318  H18Z       1.1113  110.46 -120.06  110.61   1.1112

RESI DOPA        -1.00 ! 2,3-dioleoyl-D-glycero-1-phosphatidic acid
!
!  R1 - CH2
!       |
!  R2 - CH
!       |     (-)
!       CH2 - PO4 - H
!
! Polar Head and glycerol backbone
GROUP                  !                 H12
                       !                 |     
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.82 !              \ /      alpha3
ATOM O14  O2L    -0.82 !               P (+)
ATOM O12  OHL    -0.68 !              / \      alpha2
ATOM H12  HOL     0.34 !        (-) O14  O11
ATOM O11  OSLP   -0.62 !                 |
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              |
ATOM H3R  HAL2    0.09 !        H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C24  CTL2   -0.18 !               |              |
ATOM H4R  HAL2    0.09 !        H4R ---C24---H4S      |
ATOM H4S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C25  CTL2   -0.18 !               |              |
ATOM H5R  HAL2    0.09 !        H5R ---C25---H5S      |
ATOM H5S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C26  CTL2   -0.18 !               |              |
ATOM H6R  HAL2    0.09 !        H6R ---C26---H6S      |
ATOM H6S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C27  CTL2   -0.18 !               |              |
ATOM H7R  HAL2    0.09 !        H7R ---C27---H7S      |
ATOM H7S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C28  CTL2   -0.18 !               |              |
ATOM H8R  HAL2    0.09 !        H8R ---C28---H8S      |
ATOM H8S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C29  CEL1   -0.15 !               |              |
ATOM H9R  HEL1    0.15 !        H9R ---C29            |
GROUP                  !               ||  (CIS)      |
ATOM C210 CEL1   -0.15 !               ||             |
ATOM H10R HEL1    0.15 !        H10R---C210           |
GROUP                  !               |              |
ATOM C211 CTL2   -0.18 !               |              |
ATOM H11R HAL2    0.09 !        H11R---C211--H11S     |
ATOM H11S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C212 CTL2   -0.18 !               |              |
ATOM H12R HAL2    0.09 !        H12R---C212--H12S     |
ATOM H12S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C213 CTL2   -0.18 !               |              |
ATOM H13R HAL2    0.09 !        H13R---C213--H13S     |
ATOM H13S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C214 CTL2   -0.18 !               |              |
ATOM H14R HAL2    0.09 !        H14R---C214--H14S     |
ATOM H14S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C215 CTL2   -0.18 !               |              |
ATOM H15R HAL2    0.09 !        H15R---C215--H15S     |
ATOM H15S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C216 CTL2   -0.18 !               |              |
ATOM H16R HAL2    0.09 !        H16R---C216--H16S     |
ATOM H16S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C217 CTL2   -0.18 !               |              |
ATOM H17R HAL2    0.09 !        H17R---C217--H17S     |
ATOM H17S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C218 CTL3   -0.27 !               |              |
ATOM H18R HAL3    0.09 !        H18R---C218--H18S     |
ATOM H18S HAL3    0.09 !               |              |
ATOM H18T HAL3    0.09 !              H18T            |
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |
ATOM H3X  HAL2    0.09 !                       H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C34  CTL2   -0.18 !                              |
ATOM H4X  HAL2    0.09 !                       H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C35  CTL2   -0.18 !                              |
ATOM H5X  HAL2    0.09 !                       H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C36  CTL2   -0.18 !                              |
ATOM H6X  HAL2    0.09 !                       H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C37  CTL2   -0.18 !                              |
ATOM H7X  HAL2    0.09 !                       H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C38  CTL2   -0.18 !                              |
ATOM H8X  HAL2    0.09 !                       H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C39  CEL1   -0.15 !                              |
ATOM H9X  HEL1    0.15 !                       H9X ---C39
GROUP                  !                              ||
ATOM C310 CEL1   -0.15 !                              ||
ATOM H10X HEL1    0.15 !                       H10X---C310
GROUP                  !                              |
ATOM C311 CTL2   -0.18 !                              |
ATOM H11X HAL2    0.09 !                       H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C312 CTL2   -0.18 !                              |
ATOM H12X HAL2    0.09 !                       H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C313 CTL2   -0.18 !                              |
ATOM H13X HAL2    0.09 !                       H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C314 CTL2   -0.18 !                              |
ATOM H14X HAL2    0.09 !                       H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C315 CTL2   -0.18 !                              |
ATOM H15X HAL2    0.09 !                       H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C316 CTL2   -0.18 !                              |
ATOM H16X HAL2    0.09 !                       H16X---C316--H16Y
ATOM H16Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C317 CTL2   -0.18 !                              |
ATOM H17X HAL2    0.09 !                       H17X---C317--H17Y
ATOM H17Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C318 CTL3   -0.27 !                              |
ATOM H18X HAL3    0.09 !                       H18X---C318--H18Y
ATOM H18Y HAL3    0.09 !                              |
ATOM H18Z HAL3    0.09 !                              H18Z
 
! Polar Head
BOND  O12  P         P    O11       P    O13       P    O14
BOND  O12  H12       O11  C1
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R
DOUBLE  C29 C210
BOND  C210 H10R      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X
DOUBLE C39 C310
BOND  C310 H10X      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

IC O11    P      O12    H12        1.5787  106.47 -176.07  105.33   0.9598
IC O12    O11    *P     O13        1.5649  106.47  112.30  110.73   1.4710
IC O12    O11    *P     O14        1.5649  106.47 -112.57  112.05   1.4711
IC O12    P      O11    C1         1.5649  106.47  -66.24  121.23   1.4324
IC P      O11    C1     C2         1.5787  121.23 -118.39  111.55   1.5575
IC C2     O11    *C1    HA         1.5575  111.55 -120.41  108.18   1.1110
IC HA     O11    *C1    HB         1.1110  108.18 -118.59  113.07   1.1183
IC O11    C1     C2     C3         1.4324  111.55   53.40  111.33   1.5563
IC C3     C1     *C2    O21        1.5563  111.33  120.55  109.40   1.4416
IC C3     C1     *C2    HS         1.5563  111.33 -117.52  108.24   1.1150
IC C1     C2     O21    C21        1.5575  109.40   69.37  114.94   1.3195
IC C2     O21    C21    C22        1.4416  114.94 -160.31  109.54   1.5319
IC C22    O21    *C21   O22        1.5319  109.54  176.37  126.44   1.2150
IC O21    C21    C22    C23        1.3195  109.54 -119.57  113.41   1.5464
IC C23    C21    *C22   H2R        1.5464  113.41 -119.29  105.57   1.1109
IC H2R    C21    *C22   H2S        1.1109  105.57 -116.59  109.59   1.1088
IC C1     C2     C3     O31        1.5575  111.33 -164.59  113.02   1.4460
IC O31    C2     *C3    HX         1.4460  113.02 -127.61  109.11   1.1151
IC HX     C2     *C3    HY         1.1151  109.11 -114.61  107.22   1.1116
IC C2     C3     O31    C31        1.5563  113.02 -100.10  116.86   1.3192
IC C3     O31    C31    C32        1.4460  116.86 -168.86  107.89   1.5336
IC C32    O31    *C31   O32        1.5336  107.89  177.06  127.12   1.2154
IC O31    C31    C32    C33        1.3192  107.89 -165.38  112.39   1.5426
IC C33    C31    *C32   H2X        1.5426  112.39  122.05  108.50   1.1086
IC H2X    C31    *C32   H2Y        1.1086  108.50  117.11  107.05   1.1092
IC C21    C22    C23    C24        1.5289  112.21  175.76  112.39   1.5338
IC C24    C22    *C23   H3R        1.5338  112.39 -120.69  109.57   1.1147
IC H3R    C22    *C23   H3S        1.1147  109.57 -117.65  109.64   1.1142
IC C22    C23    C24    C25        1.5449  112.39 -179.39  112.35   1.5346
IC C25    C23    *C24   H4R        1.5346  112.35 -121.52  109.41   1.1131
IC H4R    C23    *C24   H4S        1.1131  109.41 -117.57  108.97   1.1134
IC C23    C24    C25    C26        1.5338  112.35  176.31  112.80   1.5344
IC C26    C24    *C25   H5R        1.5344  112.80 -121.01  108.95   1.1135
IC H5R    C24    *C25   H5S        1.1135  108.95 -117.24  109.16   1.1132
IC C24    C25    C26    C27        1.5346  112.80 -179.44  112.48   1.5356
IC C27    C25    *C26   H6R        1.5356  112.48 -121.49  109.32   1.1129
IC H6R    C25    *C26   H6S        1.1129  109.32 -117.47  108.94   1.1132
IC C25    C26    C27    C28        1.5344  112.48  176.92  112.46   1.5398
IC C28    C26    *C27   H7R        1.5398  112.46 -121.38  108.40   1.1139
IC H7R    C26    *C27   H7S        1.1139  108.40 -116.93  108.77   1.1139
IC C26    C27    C28    C29        1.5356  112.46 -178.53  111.43   1.5097
IC C29    C27    *C28   H8R        1.5097  111.43 -123.58  107.80   1.1132
IC H8R    C27    *C28   H8S        1.1132  107.80 -115.43  108.37   1.1128
IC C27    C28    C29    C210       1.5398  111.43 -126.96  126.62   1.3465
IC C210   C28    *C29   H9R        1.3465  126.62  178.41  114.65   1.1012
IC C28    C29    C210   C211       1.5097  126.62   -1.69  126.32   1.5088
IC C211   C29    *C210  H10R       1.5088  126.32 -179.55  118.79   1.1012
IC C29    C210   C211   C212       1.3465  126.32   93.02  112.15   1.5392
IC C212   C210   *C211  H11R       1.5392  112.15 -121.30  111.28   1.1133
IC H11R   C210   *C211  H11S       1.1133  111.28 -117.50  110.00   1.1126
IC C210   C211   C212   C213       1.5088  112.15 -178.81  112.29   1.5354
IC C213   C211   *C212  H12R       1.5354  112.29 -121.34  109.78   1.1133
IC H12R   C211   *C212  H12S       1.1133  109.78 -118.01  109.42   1.1144
IC C211   C212   C213   C214       1.5392  112.29  179.81  112.68   1.5345
IC C214   C212   *C213  H13R       1.5345  112.68 -121.26  109.04   1.1132
IC H13R   C212   *C213  H13S       1.1132  109.04 -117.39  109.10   1.1131
IC C212   C213   C214   C215       1.5354  112.68  179.80  112.59   1.5347
IC C215   C213   *C214  H14R       1.5347  112.59 -121.29  109.09   1.1132
IC H14R   C213   *C214  H14S       1.1132  109.09 -117.37  109.11   1.1133
IC C213   C214   C215   C216       1.5345  112.59 -179.58  112.63   1.5347
IC C216   C214   *C215  H15R       1.5347  112.63 -121.36  109.09   1.1132
IC H15R   C214   *C215  H15S       1.1132  109.09 -117.38  109.07   1.1132
IC C214   C215   C216   C217       1.5347  112.63  179.65  112.69   1.5339
IC C217   C215   *C216  H16R       1.5339  112.69 -121.27  109.11   1.1132
IC H16R   C215   *C216  H16S       1.1132  109.11 -117.36  109.14   1.1132
IC C215   C216   C217   C218       1.5347  112.69 -179.93  113.30   1.5309
IC C218   C216   *C217  H17R       1.5309  113.30 -121.70  108.75   1.1140
IC H17R   C216   *C217  H17S       1.1140  108.75 -116.65  108.73   1.1141
IC C216   C217   C218   H18R       1.5339  113.30  -59.98  110.46   1.1113
IC H18R   C217   *C218  H18S       1.1113  110.46  119.84  110.45   1.1114
IC H18R   C217   *C218  H18T       1.1113  110.46 -120.09  110.62   1.1112
IC C31    C32    C33    C34        1.5288  113.05  179.24  111.73   1.5343
IC C34    C32    *C33   H3X        1.5343  111.73 -120.85  109.62   1.1140
IC H3X    C32    *C33   H3Y        1.1140  109.62 -117.95  109.78   1.1144
IC C32    C33    C34    C35        1.5447  111.73 -176.74  112.91   1.5345
IC C35    C33    *C34   H4X        1.5345  112.91 -121.67  109.15   1.1134
IC H4X    C33    *C34   H4Y        1.1134  109.15 -117.32  108.98   1.1134
IC C33    C34    C35    C36        1.5343  112.91  178.63  112.42   1.5349
IC C36    C34    *C35   H5X        1.5349  112.42 -120.99  108.94   1.1133
IC H5X    C34    *C35   H5Y        1.1133  108.94 -117.41  109.31   1.1131
IC C34    C35    C36    C37        1.5345  112.42 -176.73  112.80   1.5356
IC C37    C35    *C36   H6X        1.5356  112.80 -121.69  109.16   1.1130
IC H6X    C35    *C36   H6Y        1.1130  109.16 -117.32  108.94   1.1133
IC C35    C36    C37    C38        1.5349  112.80  178.92  112.27   1.5402
IC C38    C36    *C37   H7X        1.5402  112.27 -121.37  108.23   1.1139
IC H7X    C36    *C37   H7Y        1.1139  108.23 -117.01  109.05   1.1137
IC C36    C37    C38    C39        1.5356  112.27 -174.92  111.69   1.5099
IC C39    C37    *C38   H8X        1.5099  111.69 -124.14  107.77   1.1124
IC H8X    C37    *C38   H8Y        1.1124  107.77 -115.13  108.30   1.1128
IC C37    C38    C39    C310       1.5402  111.69 -121.39  127.35   1.3470
IC C310   C38    *C39   H9X        1.3470  127.35  179.11  114.24   1.1012
IC C38    C39    C310   C311       1.5099  127.35   -0.69  127.25   1.5096
IC C311   C39    *C310  H10X       1.5096  127.25  179.82  118.43   1.1012
IC C39    C310   C311   C312       1.3470  127.25  106.03  111.65   1.5393
IC C312   C310   *C311  H11X       1.5393  111.65 -121.49  112.10   1.1123
IC H11X   C310   *C311  H11Y       1.1123  112.10 -117.95  109.83   1.1127
IC C310   C311   C312   C313       1.5096  111.65  179.63  112.41   1.5355
IC C313   C311   *C312  H12X       1.5355  112.41 -121.09  109.75   1.1135
IC H12X   C311   *C312  H12Y       1.1135  109.75 -118.07  109.46   1.1143
IC C311   C312   C313   C314       1.5393  112.41 -178.89  112.60   1.5347
IC C314   C312   *C313  H13X       1.5347  112.60 -121.37  109.10   1.1131
IC H13X   C312   *C313  H13Y       1.1131  109.10 -117.41  109.08   1.1131
IC C312   C313   C314   C315       1.5355  112.60  179.88  112.66   1.5347
IC C315   C313   *C314  H14X       1.5347  112.66 -121.27  109.06   1.1132
IC H14X   C313   *C314  H14Y       1.1132  109.06 -117.36  109.14   1.1133
IC C313   C314   C315   C316       1.5347  112.66 -179.12  112.61   1.5348
IC C316   C314   *C315  H15X       1.5348  112.61 -121.34  109.09   1.1132
IC H15X   C314   *C315  H15Y       1.1132  109.09 -117.41  109.09   1.1132
IC C314   C315   C316   C317       1.5347  112.61  179.83  112.71   1.5340
IC C317   C315   *C316  H16X       1.5340  112.71 -121.28  109.10   1.1132
IC H16X   C315   *C316  H16Y       1.1132  109.10 -117.35  109.13   1.1133
IC C315   C316   C317   C318       1.5348  112.71 -179.67  113.30   1.5309
IC C318   C316   *C317  H17X       1.5309  113.30 -121.68  108.77   1.1141
IC H17X   C316   *C317  H17Y       1.1141  108.77 -116.68  108.76   1.1141
IC C316   C317   C318   H18X       1.5340  113.30  -59.94  110.46   1.1113
IC H18X   C317   *C318  H18Y       1.1113  110.46  119.86  110.45   1.1113
IC H18X   C317   *C318  H18Z       1.1113  110.46 -120.06  110.61   1.1112

RESI DOPG        -1.00 ! 2,3-dioleoyl-D-glycero-1-phosphatidylglycerol
!
!  R1 - CH2
!       |
!  R2 - CH
!       |
!       CH2 - PO4 - CH2 - CH(OH) - CH2OH
!
! Polar Head and glycerol backbone
GROUP                  !
ATOM C13  CTL2    0.05 !
ATOM H13A HAL2    0.09 !                H13A
ATOM H13B HAL2    0.09 !                 |
ATOM OC3  OHL    -0.65 !                 |
ATOM HO3  HOL     0.42 !          H13B--C13---OC3--HO3
GROUP                  !                 |
ATOM C12  CTL1    0.14 !                 |
ATOM H12A HAL1    0.09 !                 |
ATOM OC2  OHL    -0.65 !          H12A--C12---OC2--HO2
ATOM HO2  HOL     0.42 !                 |
GROUP                  !                 |     alpha5
ATOM C11  CTL2   -0.08 !                 |
ATOM H11A HAL2    0.09 !          H11A--C11---H11B
ATOM H11B HAL2    0.09 !                 |     alpha4
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.78 !              \ /      alpha3
ATOM O14  O2L    -0.78 !               P (+)
ATOM O12  OSLP   -0.57 !              / \      alpha2
ATOM O11  OSLP   -0.57 !        (-) O14  O11
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              |
ATOM H3R  HAL2    0.09 !        H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C24  CTL2   -0.18 !               |              |
ATOM H4R  HAL2    0.09 !        H4R ---C24---H4S      |
ATOM H4S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C25  CTL2   -0.18 !               |              |
ATOM H5R  HAL2    0.09 !        H5R ---C25---H5S      |
ATOM H5S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C26  CTL2   -0.18 !               |              |
ATOM H6R  HAL2    0.09 !        H6R ---C26---H6S      |
ATOM H6S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C27  CTL2   -0.18 !               |              |
ATOM H7R  HAL2    0.09 !        H7R ---C27---H7S      |
ATOM H7S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C28  CTL2   -0.18 !               |              |
ATOM H8R  HAL2    0.09 !        H8R ---C28---H8S      |
ATOM H8S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C29  CEL1   -0.15 !               |              |
ATOM H9R  HEL1    0.15 !        H9R ---C29            |
GROUP                  !               ||  (CIS)      |
ATOM C210 CEL1   -0.15 !               ||             |
ATOM H10R HEL1    0.15 !        H10R---C210           |
GROUP                  !               |              |
ATOM C211 CTL2   -0.18 !               |              |
ATOM H11R HAL2    0.09 !        H11R---C211--H11S     |
ATOM H11S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C212 CTL2   -0.18 !               |              |
ATOM H12R HAL2    0.09 !        H12R---C212--H12S     |
ATOM H12S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C213 CTL2   -0.18 !               |              |
ATOM H13R HAL2    0.09 !        H13R---C213--H13S     |
ATOM H13S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C214 CTL2   -0.18 !               |              |
ATOM H14R HAL2    0.09 !        H14R---C214--H14S     |
ATOM H14S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C215 CTL2   -0.18 !               |              |
ATOM H15R HAL2    0.09 !        H15R---C215--H15S     |
ATOM H15S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C216 CTL2   -0.18 !               |              |
ATOM H16R HAL2    0.09 !        H16R---C216--H16S     |
ATOM H16S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C217 CTL2   -0.18 !               |              |
ATOM H17R HAL2    0.09 !        H17R---C217--H17S     |
ATOM H17S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C218 CTL3   -0.27 !               |              |
ATOM H18R HAL3    0.09 !        H18R---C218--H18S     |
ATOM H18S HAL3    0.09 !               |              |
ATOM H18T HAL3    0.09 !              H18T            |
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |
ATOM H3X  HAL2    0.09 !                       H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C34  CTL2   -0.18 !                              |
ATOM H4X  HAL2    0.09 !                       H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C35  CTL2   -0.18 !                              |
ATOM H5X  HAL2    0.09 !                       H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C36  CTL2   -0.18 !                              |
ATOM H6X  HAL2    0.09 !                       H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C37  CTL2   -0.18 !                              |
ATOM H7X  HAL2    0.09 !                       H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C38  CTL2   -0.18 !                              |
ATOM H8X  HAL2    0.09 !                       H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C39  CEL1   -0.15 !                              |
ATOM H9X  HEL1    0.15 !                       H9X ---C39
GROUP                  !                              ||
ATOM C310 CEL1   -0.15 !                              ||
ATOM H10X HEL1    0.15 !                       H10X---C310
GROUP                  !                              |
ATOM C311 CTL2   -0.18 !                              |
ATOM H11X HAL2    0.09 !                       H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C312 CTL2   -0.18 !                              |
ATOM H12X HAL2    0.09 !                       H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C313 CTL2   -0.18 !                              |
ATOM H13X HAL2    0.09 !                       H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C314 CTL2   -0.18 !                              |
ATOM H14X HAL2    0.09 !                       H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C315 CTL2   -0.18 !                              |
ATOM H15X HAL2    0.09 !                       H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C316 CTL2   -0.18 !                              |
ATOM H16X HAL2    0.09 !                       H16X---C316--H16Y
ATOM H16Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C317 CTL2   -0.18 !                              |
ATOM H17X HAL2    0.09 !                       H17X---C317--H17Y
ATOM H17Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C318 CTL3   -0.27 !                              |
ATOM H18X HAL3    0.09 !                       H18X---C318--H18Y
ATOM H18Y HAL3    0.09 !                              |
ATOM H18Z HAL3    0.09 !                              H18Z
 
! Polar Head
BOND  HO3  OC3       OC3  C13       C13  H13A      C13  H13B      C13  C12
BOND  HO2  OC2       OC2  C12       C12  H12A      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H9R
DOUBLE  C29 C210
BOND  C210 H10R      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X
DOUBLE C39 C310
BOND  C310 H10X      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

IC C13    C12    C11    O12        1.5583  113.89   93.01  113.50   1.4295
IC OC3    C13    C12    C11        1.4375  112.31   69.20  113.89   1.5573
IC OC3    C12    *C13   H13A       1.4375  112.31  119.90  108.06   1.1118
IC OC3    C12    *C13   H13B       1.4375  112.31 -123.06  109.89   1.1097
IC C12    C13    OC3    HO3        1.5583  112.31 -141.84  106.96   0.9777
IC C11    C13    *C12   OC2        1.5573  113.89 -121.65  107.64   1.4259
IC OC2    C13    *C12   H12A       1.4259  107.64 -117.84  109.30   1.1131
IC C13    C12    OC2    HO2        1.5583  107.64   38.09  100.52   0.9671
IC O12    C12    *C11   H11A       1.4295  113.50 -126.35  109.70   1.1125
IC H11A   C12    *C11   H11B       1.1125  109.70 -115.65  107.71   1.1131
IC C12    C11    O12    P          1.5573  113.50  -72.69  124.80   1.5783
IC C11    O12    P      O11        1.4295  124.80  -30.02  102.66   1.5825
IC O11    O12    *P     O13        1.5825  102.66  113.88  109.00   1.4783
IC O11    O12    *P     O14        1.5825  102.66 -115.27  109.77   1.4781
IC O12    P      O11    C1         1.5783  102.66  -80.21  120.83   1.4246
IC P      O11    C1     C2         1.5825  120.83  177.68  108.67   1.5488
IC C2     O11    *C1    HA         1.5488  108.67 -120.91  111.25   1.1145
IC HA     O11    *C1    HB         1.1145  111.25 -120.47  110.06   1.1152
IC O11    C1     C2     C3         1.4246  108.67   45.70  110.42   1.5580
IC C3     C1     *C2    O21        1.5580  110.42  120.25  110.13   1.4420
IC C3     C1     *C2    HS         1.5580  110.42 -116.94  108.10   1.1164
IC C1     C2     O21    C21        1.5488  110.13   74.82  114.08   1.3218
IC C2     O21    C21    C22        1.4420  114.08 -171.58  108.87   1.5297
IC C22    O21    *C21   O22        1.5297  108.87 -179.18  126.27   1.2166
IC O21    C21    C22    C23        1.3218  108.87  167.60  112.03   1.5460
IC C23    C21    *C22   H2R        1.5460  112.03 -121.40  108.25   1.1088
IC H2R    C21    *C22   H2S        1.1088  108.25 -117.05  107.34   1.1068
IC C1     C2     C3     O31        1.5488  110.42 -172.10  112.95   1.4472
IC O31    C2     *C3    HX         1.4472  112.95 -119.90  106.80   1.1123
IC HX     C2     *C3    HY         1.1123  106.80 -114.66  109.95   1.1147
IC C2     C3     O31    C31        1.5580  112.95   84.38  114.39   1.3267
IC C3     O31    C31    C32        1.4472  114.39  176.82  109.50   1.5275
IC C32    O31    *C31   O32        1.5275  109.50 -179.44  126.11   1.2173
IC O31    C31    C32    C33        1.3267  109.50  -66.76  112.63   1.5535
IC C33    C31    *C32   H2X        1.5535  112.63  121.43  107.50   1.1085
IC H2X    C31    *C32   H2Y        1.1085  107.50  116.64  107.32   1.1097
IC C21    C22    C23    C24        1.5289  112.21  175.76  112.39   1.5338
IC C24    C22    *C23   H3R        1.5338  112.39 -120.69  109.57   1.1147
IC H3R    C22    *C23   H3S        1.1147  109.57 -117.65  109.64   1.1142
IC C22    C23    C24    C25        1.5449  112.39 -179.39  112.35   1.5346
IC C25    C23    *C24   H4R        1.5346  112.35 -121.52  109.41   1.1131
IC H4R    C23    *C24   H4S        1.1131  109.41 -117.57  108.97   1.1134
IC C23    C24    C25    C26        1.5338  112.35  176.31  112.80   1.5344
IC C26    C24    *C25   H5R        1.5344  112.80 -121.01  108.95   1.1135
IC H5R    C24    *C25   H5S        1.1135  108.95 -117.24  109.16   1.1132
IC C24    C25    C26    C27        1.5346  112.80 -179.44  112.48   1.5356
IC C27    C25    *C26   H6R        1.5356  112.48 -121.49  109.32   1.1129
IC H6R    C25    *C26   H6S        1.1129  109.32 -117.47  108.94   1.1132
IC C25    C26    C27    C28        1.5344  112.48  176.92  112.46   1.5398
IC C28    C26    *C27   H7R        1.5398  112.46 -121.38  108.40   1.1139
IC H7R    C26    *C27   H7S        1.1139  108.40 -116.93  108.77   1.1139
IC C26    C27    C28    C29        1.5356  112.46 -178.53  111.43   1.5097
IC C29    C27    *C28   H8R        1.5097  111.43 -123.58  107.80   1.1132
IC H8R    C27    *C28   H8S        1.1132  107.80 -115.43  108.37   1.1128
IC C27    C28    C29    C210       1.5398  111.43 -126.96  126.62   1.3465
IC C210   C28    *C29   H9R        1.3465  126.62  178.41  114.65   1.1012
IC C28    C29    C210   C211       1.5097  126.62   -1.69  126.32   1.5088
IC C211   C29    *C210  H10R       1.5088  126.32 -179.55  118.79   1.1012
IC C29    C210   C211   C212       1.3465  126.32   93.02  112.15   1.5392
IC C212   C210   *C211  H11R       1.5392  112.15 -121.30  111.28   1.1133
IC H11R   C210   *C211  H11S       1.1133  111.28 -117.50  110.00   1.1126
IC C210   C211   C212   C213       1.5088  112.15 -178.81  112.29   1.5354
IC C213   C211   *C212  H12R       1.5354  112.29 -121.34  109.78   1.1133
IC H12R   C211   *C212  H12S       1.1133  109.78 -118.01  109.42   1.1144
IC C211   C212   C213   C214       1.5392  112.29  179.81  112.68   1.5345
IC C214   C212   *C213  H13R       1.5345  112.68 -121.26  109.04   1.1132
IC H13R   C212   *C213  H13S       1.1132  109.04 -117.39  109.10   1.1131
IC C212   C213   C214   C215       1.5354  112.68  179.80  112.59   1.5347
IC C215   C213   *C214  H14R       1.5347  112.59 -121.29  109.09   1.1132
IC H14R   C213   *C214  H14S       1.1132  109.09 -117.37  109.11   1.1133
IC C213   C214   C215   C216       1.5345  112.59 -179.58  112.63   1.5347
IC C216   C214   *C215  H15R       1.5347  112.63 -121.36  109.09   1.1132
IC H15R   C214   *C215  H15S       1.1132  109.09 -117.38  109.07   1.1132
IC C214   C215   C216   C217       1.5347  112.63  179.65  112.69   1.5339
IC C217   C215   *C216  H16R       1.5339  112.69 -121.27  109.11   1.1132
IC H16R   C215   *C216  H16S       1.1132  109.11 -117.36  109.14   1.1132
IC C215   C216   C217   C218       1.5347  112.69 -179.93  113.30   1.5309
IC C218   C216   *C217  H17R       1.5309  113.30 -121.70  108.75   1.1140
IC H17R   C216   *C217  H17S       1.1140  108.75 -116.65  108.73   1.1141
IC C216   C217   C218   H18R       1.5339  113.30  -59.98  110.46   1.1113
IC H18R   C217   *C218  H18S       1.1113  110.46  119.84  110.45   1.1114
IC H18R   C217   *C218  H18T       1.1113  110.46 -120.09  110.62   1.1112
IC C31    C32    C33    C34        1.5288  113.05  179.24  111.73   1.5343
IC C34    C32    *C33   H3X        1.5343  111.73 -120.85  109.62   1.1140
IC H3X    C32    *C33   H3Y        1.1140  109.62 -117.95  109.78   1.1144
IC C32    C33    C34    C35        1.5447  111.73 -176.74  112.91   1.5345
IC C35    C33    *C34   H4X        1.5345  112.91 -121.67  109.15   1.1134
IC H4X    C33    *C34   H4Y        1.1134  109.15 -117.32  108.98   1.1134
IC C33    C34    C35    C36        1.5343  112.91  178.63  112.42   1.5349
IC C36    C34    *C35   H5X        1.5349  112.42 -120.99  108.94   1.1133
IC H5X    C34    *C35   H5Y        1.1133  108.94 -117.41  109.31   1.1131
IC C34    C35    C36    C37        1.5345  112.42 -176.73  112.80   1.5356
IC C37    C35    *C36   H6X        1.5356  112.80 -121.69  109.16   1.1130
IC H6X    C35    *C36   H6Y        1.1130  109.16 -117.32  108.94   1.1133
IC C35    C36    C37    C38        1.5349  112.80  178.92  112.27   1.5402
IC C38    C36    *C37   H7X        1.5402  112.27 -121.37  108.23   1.1139
IC H7X    C36    *C37   H7Y        1.1139  108.23 -117.01  109.05   1.1137
IC C36    C37    C38    C39        1.5356  112.27 -174.92  111.69   1.5099
IC C39    C37    *C38   H8X        1.5099  111.69 -124.14  107.77   1.1124
IC H8X    C37    *C38   H8Y        1.1124  107.77 -115.13  108.30   1.1128
IC C37    C38    C39    C310       1.5402  111.69 -121.39  127.35   1.3470
IC C310   C38    *C39   H9X        1.3470  127.35  179.11  114.24   1.1012
IC C38    C39    C310   C311       1.5099  127.35   -0.69  127.25   1.5096
IC C311   C39    *C310  H10X       1.5096  127.25  179.82  118.43   1.1012
IC C39    C310   C311   C312       1.3470  127.25  106.03  111.65   1.5393
IC C312   C310   *C311  H11X       1.5393  111.65 -121.49  112.10   1.1123
IC H11X   C310   *C311  H11Y       1.1123  112.10 -117.95  109.83   1.1127
IC C310   C311   C312   C313       1.5096  111.65  179.63  112.41   1.5355
IC C313   C311   *C312  H12X       1.5355  112.41 -121.09  109.75   1.1135
IC H12X   C311   *C312  H12Y       1.1135  109.75 -118.07  109.46   1.1143
IC C311   C312   C313   C314       1.5393  112.41 -178.89  112.60   1.5347
IC C314   C312   *C313  H13X       1.5347  112.60 -121.37  109.10   1.1131
IC H13X   C312   *C313  H13Y       1.1131  109.10 -117.41  109.08   1.1131
IC C312   C313   C314   C315       1.5355  112.60  179.88  112.66   1.5347
IC C315   C313   *C314  H14X       1.5347  112.66 -121.27  109.06   1.1132
IC H14X   C313   *C314  H14Y       1.1132  109.06 -117.36  109.14   1.1133
IC C313   C314   C315   C316       1.5347  112.66 -179.12  112.61   1.5348
IC C316   C314   *C315  H15X       1.5348  112.61 -121.34  109.09   1.1132
IC H15X   C314   *C315  H15Y       1.1132  109.09 -117.41  109.09   1.1132
IC C314   C315   C316   C317       1.5347  112.61  179.83  112.71   1.5340
IC C317   C315   *C316  H16X       1.5340  112.71 -121.28  109.10   1.1132
IC H16X   C315   *C316  H16Y       1.1132  109.10 -117.35  109.13   1.1133
IC C315   C316   C317   C318       1.5348  112.71 -179.67  113.30   1.5309
IC C318   C316   *C317  H17X       1.5309  113.30 -121.68  108.77   1.1141
IC H17X   C316   *C317  H17Y       1.1141  108.77 -116.68  108.76   1.1141
IC C316   C317   C318   H18X       1.5340  113.30  -59.94  110.46   1.1113
IC H18X   C317   *C318  H18Y       1.1113  110.46  119.86  110.45   1.1113
IC H18X   C317   *C318  H18Z       1.1113  110.46 -120.06  110.61   1.1112

RESI POPC         0.00 ! 3-palmitoyl-2-oleoyl-D-glycero-1-Phosphatidylcholine
!
!  Palmitoyl - CH2        
!              |  
!     Oleyol - CH
!              |     (-)              (+)
!              CH2 - PO4 - CH2 - CH2 - N-(CH3)3
!
! Polar Head and glycerol backbone
!
GROUP                  !               H15B
ATOM N    NTL    -0.60 !                 |
ATOM C12  CTL2   -0.10 !           H15A-C15-H15C
ATOM H12A HL      0.25 !                 |
ATOM H12B HL      0.25 !         H13B    |    H14A
ATOM C13  CTL5   -0.35 !           |     |     |
ATOM H13A HL      0.25 !     H13A-C13----N----C14-H14B     (+)
ATOM H13B HL      0.25 !           |     |     |
ATOM H13C HL      0.25 !         H13C    |    H14C
ATOM C14  CTL5   -0.35 !                 |
ATOM H14A HL      0.25 !                 |
ATOM H14B HL      0.25 !                 |    alpha6
ATOM H14C HL      0.25 !                 |
ATOM C15  CTL5   -0.35 !                 |
ATOM H15A HL      0.25 !          H12A--C12---H12B
ATOM H15B HL      0.25 !                 |
ATOM H15C HL      0.25 !                 |
GROUP                  !                 |     alpha5
ATOM C11  CTL2   -0.08 !                 |
ATOM H11A HAL2    0.09 !          H11A--C11---H11B
ATOM H11B HAL2    0.09 !                 |     alpha4
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.78 !              \ /      alpha3
ATOM O14  O2L    -0.78 !               P (+)
ATOM O12  OSLP   -0.57 !              / \      alpha2
ATOM O11  OSLP   -0.57 !        (-) O14  O11
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              |
ATOM H3R  HAL2    0.09 !        H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C24  CTL2   -0.18 !               |              |
ATOM H4R  HAL2    0.09 !        H4R ---C24---H4S      |
ATOM H4S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C25  CTL2   -0.18 !               |              |
ATOM H5R  HAL2    0.09 !        H5R ---C25---H5S      |
ATOM H5S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C26  CTL2   -0.18 !               |              |
ATOM H6R  HAL2    0.09 !        H6R ---C26---H6S      |
ATOM H6S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C27  CTL2   -0.18 !               |              |
ATOM H7R  HAL2    0.09 !        H7R ---C27---H7S      |
ATOM H7S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C28  CTL2   -0.18 !               |              |
ATOM H8R  HAL2    0.09 !        H8R ---C28---H8S      |
ATOM H8S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C29  CEL1   -0.15 !               |              |
ATOM H91  HEL1    0.15 !        H91 ---C29            |
GROUP                  !               ||  (CIS)      |
ATOM C210 CEL1   -0.15 !               ||             |
ATOM H101 HEL1    0.15 !        H101---C210           |
GROUP                  !               |              |
ATOM C211 CTL2   -0.18 !               |              |
ATOM H11R HAL2    0.09 !        H11R---C211--H11S     |
ATOM H11S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C212 CTL2   -0.18 !               |              |
ATOM H12R HAL2    0.09 !        H12R---C212--H12S     |
ATOM H12S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C213 CTL2   -0.18 !               |              |
ATOM H13R HAL2    0.09 !        H13R---C213--H13S     |
ATOM H13S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C214 CTL2   -0.18 !               |              |
ATOM H14R HAL2    0.09 !        H14R---C214--H14S     |
ATOM H14S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C215 CTL2   -0.18 !               |              |
ATOM H15R HAL2    0.09 !        H15R---C215--H15S     |
ATOM H15S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C216 CTL2   -0.18 !               |              |
ATOM H16R HAL2    0.09 !        H16R---C216--H16S     |
ATOM H16S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C217 CTL2   -0.18 !               |              |
ATOM H17R HAL2    0.09 !        H17R---C217--H17S     |
ATOM H17S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C218 CTL3   -0.27 !               |              |
ATOM H18R HAL3    0.09 !        H18R---C218--H18S     |
ATOM H18S HAL3    0.09 !               |              |
ATOM H18T HAL3    0.09 !              H18T            |
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |
ATOM H3X  HAL2    0.09 !                       H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C34  CTL2   -0.18 !                              |
ATOM H4X  HAL2    0.09 !                       H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C35  CTL2   -0.18 !                              |
ATOM H5X  HAL2    0.09 !                       H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C36  CTL2   -0.18 !                              |
ATOM H6X  HAL2    0.09 !                       H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C37  CTL2   -0.18 !                              |
ATOM H7X  HAL2    0.09 !                       H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C38  CTL2   -0.18 !                              |
ATOM H8X  HAL2    0.09 !                       H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C39  CTL2   -0.18 !                              |
ATOM H9X  HAL2    0.09 !                       H9X ---C39---H9Y
ATOM H9Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C310 CTL2   -0.18 !                              |
ATOM H10X HAL2    0.09 !                       H10X---C310--H10Y
ATOM H10Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C311 CTL2   -0.18 !                              |
ATOM H11X HAL2    0.09 !                       H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C312 CTL2   -0.18 !                              |
ATOM H12X HAL2    0.09 !                       H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C313 CTL2   -0.18 !                              |
ATOM H13X HAL2    0.09 !                       H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C314 CTL2   -0.18 !                              |
ATOM H14X HAL2    0.09 !                       H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C315 CTL2   -0.18 !                              |
ATOM H15X HAL2    0.09 !                       H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C316 CTL3   -0.27 !                              |
ATOM H16X HAL3    0.09 !                       H16X---C316--H16Y
ATOM H16Y HAL3    0.09 !                              |
ATOM H16Z HAL3    0.09 !                              H16Z
 
! Polar Head
BOND  N    C13       N    C14       N    C15
BOND  C13  H13A      C13  H13B      C13  H13C
BOND  C14  H14A      C14  H14B      C14  H14C
BOND  C15  H15A      C15  H15B      C15  H15C
BOND  N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H91       
DOUBLE  C29 C210
BOND  C210 H101      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 H16Z
IMPR C21 O21 C22 O22    C31 O31 C32 O32
!IC table from IC generate, minimized geometry
IC C13    N      C12    C11        1.4950  110.81   58.46  117.00   1.5420
IC C13    C12    *N     C14        1.4950  110.81  122.75  109.46   1.4979
IC C13    C12    *N     C15        1.4950  110.81 -120.02  108.16   1.5034
IC C11    N      *C12   H12A       1.5420  117.00 -126.73  111.85   1.0787
IC H12A   N      *C12   H12B       1.0787  111.85 -115.99  107.93   1.0977
IC C14    N      C13    H13A       1.4979  111.01  179.36  109.41   1.0866
IC H13A   N      *C13   H13B       1.0866  109.41  119.11  111.31   1.0813
IC H13A   N      *C13   H13C       1.0866  109.41 -119.02  111.10   1.0815
IC C13    N      C14    H14A       1.4950  111.01 -179.09  109.58   1.0882
IC H14A   N      *C14   H14B       1.0882  109.58  118.63  110.95   1.0819
IC H14A   N      *C14   H14C       1.0882  109.58 -119.72  111.56   1.0811
IC C13    N      C15    H15A       1.4950  109.49 -176.86  110.11   1.0949
IC H15A   N      *C15   H15B       1.0949  110.11  112.40  111.19   1.0942
IC H15A   N      *C15   H15C       1.0949  110.11 -123.40  113.89   1.0740
IC N      C12    C11    O12        1.5227  117.00  126.96  108.43   1.4243
IC O12    C12    *C11   H11A       1.4243  108.43 -123.15  113.04   1.1139
IC H11A   C12    *C11   H11B       1.1139  113.04 -118.48  109.10   1.1129
IC C12    C11    O12    P          1.5420  108.43  -67.66  118.24   1.5905
IC C11    O12    P      O11        1.4243  118.24 -168.65  103.08   1.5759
IC O11    O12    *P     O13        1.5759  103.08  117.52  107.25   1.4784
IC O11    O12    *P     O14        1.5759  103.08 -117.26  106.69   1.4808
IC O12    P      O11    C1         1.5905  103.08   53.06  121.96   1.4290
IC P      O11    C1     C2         1.5759  121.96 -120.83  111.03   1.5486
IC C2     O11    *C1    HA         1.5486  111.03 -118.56  108.65   1.1130
IC HA     O11    *C1    HB         1.1130  108.65 -119.01  113.55   1.1171
IC O11    C1     C2     O21        1.4290  111.03 -176.04  106.79   1.4418
IC O21    C1     *C2    C3         1.4418  106.79 -121.29  111.26   1.5597 !defines S chirality
IC C3     C1     *C2    HS         1.5597  111.26 -118.26  107.07   1.1169 !defines S chirality
IC C1     C2     O21    C21        1.5486  106.79  150.93  115.28   1.3209
IC C2     O21    C21    C22        1.4418  115.28  176.64  108.60   1.5290
IC C22    O21    *C21   O22        1.5290  108.60  179.59  126.50   1.2169
IC O21    C21    C22    C23        1.3209  108.60 -179.01  112.27   1.5451
IC C23    C21    *C22   H2R        1.5451  112.27 -121.28  107.76   1.1092
IC H2R    C21    *C22   H2S        1.1092  107.76 -117.26  107.89   1.1091
IC C1     C2     C3     O31        1.5486  111.26  173.79  112.94   1.4459
IC O31    C2     *C3    HX         1.4459  112.94  126.42  109.02   1.1150
IC HX     C2     *C3    HY         1.1150  109.02  114.46  106.69   1.1125
IC C2     C3     O31    C31        1.5597  112.94   88.29  114.93   1.3313
IC C3     O31    C31    C32        1.4459  114.93 -173.14  108.62   1.5287
IC C32    O31    *C31   O32        1.5287  108.62 -178.86  125.93   1.2161
IC O31    C31    C32    C33        1.3313  108.62 -179.25  112.61   1.5449
IC C33    C31    *C32   H2X        1.5449  112.61 -120.75  107.37   1.1102
IC H2X    C31    *C32   H2Y        1.1102  107.37 -117.25  108.05   1.1083
IC C21    C22    C23    C24        1.5290  112.27 -178.80  112.39   1.5341
IC C24    C22    *C23   H3R        1.5341  112.39 -121.30  109.66   1.1143
IC H3R    C22    *C23   H3S        1.1143  109.66 -117.71  109.63   1.1148
IC C22    C23    C24    C25        1.5451  112.39  179.92  112.37   1.5348
IC C25    C23    *C24   H4R        1.5348  112.37 -121.09  109.19   1.1134
IC H4R    C23    *C24   H4S        1.1134  109.19 -117.63  109.29   1.1131
IC C23    C24    C25    C26        1.5341  112.37 -179.65  112.86   1.5347
IC C26    C24    *C25   H5R        1.5347  112.86 -121.43  109.08   1.1132
IC H5R    C24    *C25   H5S        1.1132  109.08 -117.25  109.07   1.1134
IC C24    C25    C26    C27        1.5348  112.86 -179.97  112.46   1.5357
IC C27    C25    *C26   H6R        1.5357  112.46 -121.19  109.17   1.1131
IC H6R    C25    *C26   H6S        1.1131  109.17 -117.50  109.15   1.1129
IC C25    C26    C27    C28        1.5347  112.46  179.27  112.54   1.5398
IC C28    C26    *C27   H7R        1.5398  112.54 -121.63  108.44   1.1137
IC H7R    C26    *C27   H7S        1.1137  108.44 -116.90  108.70   1.1141
IC C26    C27    C28    C29        1.5357  112.54 -178.53  111.36   1.5099
IC C29    C27    *C28   H8R        1.5099  111.36 -123.49  107.78   1.1133
IC H8R    C27    *C28   H8S        1.1133  107.78 -115.41  108.52   1.1127
IC C27    C28    C29    C210       1.5398  111.36 -121.90  126.64   1.3464
IC C210   C28    *C29   H91        1.3464  126.64  178.40  114.63   1.1012
IC C28    C29    C210   C211       1.5099  126.64   -1.49  126.31   1.5089
IC C211   C29    *C210  H101       1.5089  126.31 -179.72  118.80   1.1013
IC C29    C210   C211   C212       1.3464  126.31   89.31  112.19   1.5394
IC C212   C210   *C211  H11R       1.5394  112.19 -121.31  111.20   1.1134
IC H11R   C210   *C211  H11S       1.1134  111.20 -117.51  109.99   1.1127
IC C210   C211   C212   C213       1.5089  112.19 -179.78  112.31   1.5354
IC C213   C211   *C212  H12R       1.5354  112.31 -121.28  109.81   1.1134
IC H12R   C211   *C212  H12S       1.1134  109.81 -118.01  109.39   1.1144
IC C211   C212   C213   C214       1.5394  112.31  179.16  112.70   1.5346
IC C214   C212   *C213  H13R       1.5346  112.70 -121.26  109.08   1.1132
IC H13R   C212   *C213  H13S       1.1132  109.08 -117.39  109.07   1.1131
IC C212   C213   C214   C215       1.5354  112.70  179.34  112.55   1.5347
IC C215   C213   *C214  H14R       1.5347  112.55 -121.30  109.14   1.1131
IC H14R   C213   *C214  H14S       1.1131  109.14 -117.39  109.08   1.1133
IC C213   C214   C215   C216       1.5346  112.55  179.77  112.71   1.5347
IC C216   C214   *C215  H15R       1.5347  112.71 -121.31  109.08   1.1132
IC H15R   C214   *C215  H15S       1.1132  109.08 -117.38  109.06   1.1132
IC C214   C215   C216   C217       1.5347  112.71  179.71  112.62   1.5341
IC C217   C215   *C216  H16R       1.5341  112.62 -121.30  109.16   1.1132
IC H16R   C215   *C216  H16S       1.1132  109.16 -117.41  109.13   1.1133
IC C215   C216   C217   C218       1.5347  112.62  179.90  113.34   1.5308
IC C218   C216   *C217  H17R       1.5308  113.34 -121.66  108.75   1.1141
IC H17R   C216   *C217  H17S       1.1141  108.75 -116.66  108.75   1.1141
IC C216   C217   C218   H18R       1.5341  113.34  -60.00  110.46   1.1113
IC H18R   C217   *C218  H18S       1.1113  110.46  119.87  110.48   1.1112
IC H18R   C217   *C218  H18T       1.1113  110.46 -120.05  110.61   1.1112
IC C31    C32    C33    C34        1.5287  112.61 -178.86  112.01   1.5338
IC C34    C32    *C33   H3X        1.5338  112.01 -121.48  109.83   1.1138
IC H3X    C32    *C33   H3Y        1.1138  109.83 -117.75  109.42   1.1150
IC C32    C33    C34    C35        1.5449  112.01  179.84  112.77   1.5347
IC C35    C33    *C34   H4X        1.5347  112.77 -121.17  108.96   1.1136
IC H4X    C33    *C34   H4Y        1.1136  108.96 -117.41  109.17   1.1130
IC C33    C34    C35    C36        1.5338  112.77 -179.85  112.41   1.5346
IC C36    C34    *C35   H5X        1.5346  112.41 -121.34  109.12   1.1131
IC H5X    C34    *C35   H5Y        1.1131  109.12 -117.37  109.10   1.1134
IC C34    C35    C36    C37        1.5347  112.41 -179.32  112.86   1.5347
IC C37    C35    *C36   H6X        1.5347  112.86 -121.41  109.03   1.1133
IC H6X    C35    *C36   H6Y        1.1133  109.03 -117.30  109.00   1.1132
IC C35    C36    C37    C38        1.5346  112.86  179.55  112.41   1.5347
IC C38    C36    *C37   H7X        1.5347  112.41 -121.18  109.06   1.1132
IC H7X    C36    *C37   H7Y        1.1132  109.06 -117.42  109.19   1.1132
IC C36    C37    C38    C39        1.5347  112.41 -178.88  112.84   1.5346
IC C39    C37    *C38   H8X        1.5346  112.84 -121.50  109.09   1.1132
IC H8X    C37    *C38   H8Y        1.1132  109.09 -117.30  108.97   1.1133
IC C37    C38    C39    C310       1.5347  112.84  179.23  112.47   1.5348
IC C310   C38    *C39   H9X        1.5348  112.47 -121.14  109.05   1.1132
IC H9X    C38    *C39   H9Y        1.1132  109.05 -117.44  109.20   1.1131
IC C38    C39    C310   C311       1.5346  112.47 -178.98  112.76   1.5346
IC C311   C39    *C310  H10X       1.5346  112.76 -121.46  109.11   1.1132
IC H10X   C39    *C310  H10Y       1.1132  109.11 -117.33  109.01   1.1133
IC C39    C310   C311   C312       1.5348  112.76  179.33  112.56   1.5348
IC C312   C310   *C311  H11X       1.5348  112.56 -121.19  109.07   1.1132
IC H11X   C310   *C311  H11Y       1.1132  109.07 -117.41  109.15   1.1131
IC C310   C311   C312   C313       1.5346  112.56 -179.57  112.68   1.5346
IC C313   C311   *C312  H12X       1.5346  112.68 -121.37  109.11   1.1132
IC H12X   C311   *C312  H12Y       1.1132  109.11 -117.37  109.06   1.1132
IC C311   C312   C313   C314       1.5348  112.68  179.70  112.62   1.5348
IC C314   C312   *C313  H13X       1.5348  112.62 -121.28  109.09   1.1132
IC H13X   C312   *C313  H13Y       1.1132  109.09 -117.40  109.09   1.1132
IC C312   C313   C314   C315       1.5346  112.62  179.93  112.69   1.5340
IC C315   C313   *C314  H14X       1.5340  112.69 -121.31  109.12   1.1132
IC H14X   C313   *C314  H14Y       1.1132  109.12 -117.38  109.12   1.1132
IC C313   C314   C315   C316       1.5348  112.69  179.95  113.32   1.5309
IC C316   C314   *C315  H15X       1.5309  113.32 -121.68  108.76   1.1141
IC H15X   C314   *C315  H15Y       1.1141  108.76 -116.66  108.75   1.1141
IC C314   C315   C316   H16X       1.5340  113.32  -60.01  110.46   1.1113
IC H16X   C315   *C316  H16Y       1.1113  110.46  119.87  110.46   1.1113
IC H16X   C315   *C316  H16Z       1.1113  110.46 -120.07  110.61   1.1113

RESI POPE         0.00 ! 3-palmitoyl-2-oleoyl-D-glycero-1-Phosphatidylethanolamine
!
!  Palmitoyl - CH2
!              |
!      Oleyl - CH
!              |
!              CH2 - PO4 - CH2 - CH2 - NH3
!
! Polar Head and glycerol backbone
GROUP                  !
ATOM N     NH3L  -0.30 !           HN2
ATOM HN1   HCL    0.33 !            |
ATOM HN2   HCL    0.33 !  (+) HN1---N---HN3
ATOM HN3   HCL    0.33 !            |
ATOM C12   CTL2   0.13 !            |
ATOM H12A  HAL2   0.09 !     H12A--C12---H12B
ATOM H12B  HAL2   0.09 !            |
GROUP                  !            |     alpha5
ATOM C11  CTL2   -0.08 !            |
ATOM H11A HAL2    0.09 !     H11A--C11---H11B
ATOM H11B HAL2    0.09 !            |     alpha4
ATOM P    PL      1.50 !   (-) O13  O12
ATOM O13  O2L    -0.78 !         \ /      alpha3
ATOM O14  O2L    -0.78 !          P (+)
ATOM O11  OSLP   -0.57 !         / \      alpha2
ATOM O12  OSLP   -0.57 !   (-) O14  O11
ATOM C1   CTL2   -0.08 !            |     alpha1
ATOM HA   HAL2    0.09 !       HA---C1---HB
ATOM HB   HAL2    0.09 !            |     theta1
GROUP                  !            |
ATOM C2   CTL1    0.17 !       HS---C2--------------
ATOM HS   HAL1    0.09 !            | beta1        |
ATOM O21  OSL    -0.49 !       O22  O21          theta3
ATOM C21  CL      0.90 !        \\ /  beta2        |
ATOM O22  OBL    -0.63 !          C21              |
ATOM C22  CTL2   -0.22 !          |   beta3        |
ATOM H2R  HAL2    0.09 !   H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !          |                |
GROUP                  !          |    beta4       |
ATOM C3   CTL2    0.08 !          |                |
ATOM HX   HAL2    0.09 !          |           HX---C3---HY
ATOM HY   HAL2    0.09 !          |                |   gamma1
ATOM O31  OSL    -0.49 !          |           O32  O31
ATOM C31  CL      0.90 !          |            \\ /    gamma2
ATOM O32  OBL    -0.63 !          |              C31
ATOM C32  CTL2   -0.22 !          |              |     gamma3
ATOM H2X  HAL2    0.09 !          |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !          |              |
GROUP                  !          |              |      gamma4
ATOM C23  CTL2   -0.18 !          |              |
ATOM H3R  HAL2    0.09 !   H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C24  CTL2   -0.18 !          |              |
ATOM H4R  HAL2    0.09 !   H4R ---C24---H4S      |
ATOM H4S  HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C25  CTL2   -0.18 !          |              |
ATOM H5R  HAL2    0.09 !   H5R ---C25---H5S      |
ATOM H5S  HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C26  CTL2   -0.18 !          |              |
ATOM H6R  HAL2    0.09 !   H6R ---C26---H6S      |
ATOM H6S  HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C27  CTL2   -0.18 !          |              |
ATOM H7R  HAL2    0.09 !   H7R ---C27---H7S      |
ATOM H7S  HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C28  CTL2   -0.18 !          |              |
ATOM H8R  HAL2    0.09 !   H8R ---C28---H8S      |
ATOM H8S  HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C29  CEL1   -0.15 !          |              |
ATOM H91  HEL1    0.15 !   H91 ---C29            |
GROUP                  !          ||  (CIS)      |
ATOM C210 CEL1   -0.15 !          ||             |
ATOM H101 HEL1    0.15 !   H101---C210           |
GROUP                  !          |              |
ATOM C211 CTL2   -0.18 !          |              |
ATOM H11R HAL2    0.09 !   H11R---C211--H11S     |
ATOM H11S HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C212 CTL2   -0.18 !          |              |
ATOM H12R HAL2    0.09 !   H12R---C212--H12S     |
ATOM H12S HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C213 CTL2   -0.18 !          |              |
ATOM H13R HAL2    0.09 !   H13R---C213--H13S     |
ATOM H13S HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C214 CTL2   -0.18 !          |              |
ATOM H14R HAL2    0.09 !   H14R---C214--H14S     |
ATOM H14S HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C215 CTL2   -0.18 !          |              |
ATOM H15R HAL2    0.09 !   H15R---C215--H15S     |
ATOM H15S HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C216 CTL2   -0.18 !          |              |
ATOM H16R HAL2    0.09 !   H16R---C216--H16S     |
ATOM H16S HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C217 CTL2   -0.18 !          |              |
ATOM H17R HAL2    0.09 !   H17R---C217--H17S     |
ATOM H17S HAL2    0.09 !          |              |
GROUP                  !          |              |
ATOM C218 CTL3   -0.27 !          |              |
ATOM H18R HAL3    0.09 !   H18R---C218--H18S     |
ATOM H18S HAL3    0.09 !          |              |
ATOM H18T HAL3    0.09 !         H18T            |
GROUP                  !                         |
ATOM C33  CTL2   -0.18 !                         |
ATOM H3X  HAL2    0.09 !                  H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C34  CTL2   -0.18 !                         |
ATOM H4X  HAL2    0.09 !                  H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C35  CTL2   -0.18 !                         |
ATOM H5X  HAL2    0.09 !                  H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C36  CTL2   -0.18 !                         |
ATOM H6X  HAL2    0.09 !                  H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C37  CTL2   -0.18 !                         |
ATOM H7X  HAL2    0.09 !                  H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C38  CTL2   -0.18 !                         |
ATOM H8X  HAL2    0.09 !                  H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C39  CTL2   -0.18 !                         |
ATOM H9X  HAL2    0.09 !                  H9X ---C39---H9Y
ATOM H9Y  HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C310 CTL2   -0.18 !                         |
ATOM H10X HAL2    0.09 !                  H10X---C310--H10Y
ATOM H10Y HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C311 CTL2   -0.18 !                         |
ATOM H11X HAL2    0.09 !                  H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C312 CTL2   -0.18 !                         |
ATOM H12X HAL2    0.09 !                  H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C313 CTL2   -0.18 !                         |
ATOM H13X HAL2    0.09 !                  H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C314 CTL2   -0.18 !                         |
ATOM H14X HAL2    0.09 !                  H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C315 CTL2   -0.18 !                         |
ATOM H15X HAL2    0.09 !                  H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                         |
GROUP                  !                         |
ATOM C316 CTL3   -0.27 !                         |
ATOM H16X HAL3    0.09 !                  H16X---C316--H16Y
ATOM H16Y HAL3    0.09 !                         |
ATOM H16Z HAL3    0.09 !                         H16Z

! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        C1   O11
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H91
DOUBLE  C29 C210
BOND  C210 H101      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 H16Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC N      C12    C11    O12        1.5078  111.09   68.79  110.33   1.4254
IC C11    N      *C12   H12A       1.5400  111.09 -122.33  108.17   1.1079
IC H12A   N      *C12   H12B       1.1079  108.17 -118.40  107.74   1.1112
IC C11    C12    N      HN1        1.5400  111.09  -35.27  106.06   1.0664
IC HN1    C12    *N     HN2        1.0664  106.06  114.05  112.10   1.0358
IC HN1    C12    *N     HN3        1.0664  106.06 -118.21  113.62   1.0353
IC O12    C12    *C11   H11A       1.4254  110.33 -126.01  111.43   1.1173
IC H11A   C12    *C11   H11B       1.1173  111.43 -116.40  108.25   1.1146
IC C12    C11    O12    P          1.5400  110.33  -98.67  122.01   1.5838
IC C11    O12    P      O11        1.4254  122.01  175.28  101.96   1.5733
IC O11    O12    *P     O13        1.5733  101.96  118.35  108.16   1.4702
IC O11    O12    *P     O14        1.5733  101.96 -114.83  104.73   1.4823
IC O12    P      O11    C1         1.5838  101.96   61.31  122.26   1.4287
IC P      O11    C1     C2         1.5733  122.26 -120.45  111.00   1.5491
IC C2     O11    *C1    HA         1.5491  111.00 -118.16  108.31   1.1134
IC HA     O11    *C1    HB         1.1134  108.31 -118.72  113.73   1.1170
IC O11    C1     C2     O21        1.4287  111.00 -170.08  107.01   1.4406
IC O21    C1     *C2    C3         1.4406  107.01 -121.48  111.36   1.5593 !defines S chirality
IC C3     C1     *C2    HS         1.5593  111.36 -118.41  106.90   1.1168 !defines S chirality
IC C1     C2     O21    C21        1.5491  107.01  151.66  115.21   1.3219
IC C2     O21    C21    C22        1.4406  115.21  176.14  108.47   1.5289
IC C22    O21    *C21   O22        1.5289  108.47  179.75  126.36   1.2176
IC O21    C21    C22    C23        1.3219  108.47 -177.19  112.65   1.5452
IC C23    C21    *C22   H2R        1.5452  112.65 -121.46  107.75   1.1093
IC H2R    C21    *C22   H2S        1.1093  107.75 -117.05  107.80   1.1094
IC C1     C2     C3     O31        1.5491  111.36  174.62  112.78   1.4451
IC O31    C2     *C3    HX         1.4451  112.78  126.20  108.61   1.1134
IC HX     C2     *C3    HY         1.1134  108.61  114.63  106.76   1.1126
IC C2     C3     O31    C31        1.5593  112.78   94.47  115.64   1.3298
IC C3     O31    C31    C32        1.4451  115.64 -170.85  108.57   1.5287
IC C32    O31    *C31   O32        1.5287  108.57 -178.35  125.82   1.2178
IC O31    C31    C32    C33        1.3298  108.57  176.09  113.01   1.5453
IC C33    C31    *C32   H2X        1.5453  113.01 -120.86  107.43   1.1106
IC H2X    C31    *C32   H2Y        1.1106  107.43 -117.02  107.94   1.1084
IC C21    C22    C23    C24        1.5289  112.65  179.22  112.12   1.5344
IC C24    C22    *C23   H3R        1.5344  112.12 -120.98  109.71   1.1144
IC H3R    C22    *C23   H3S        1.1144  109.71 -117.88  109.69   1.1144
IC C22    C23    C24    C25        1.5452  112.12  179.62  112.63   1.5348
IC C25    C23    *C24   H4R        1.5348  112.63 -121.34  109.27   1.1133
IC H4R    C23    *C24   H4S        1.1133  109.27 -117.46  109.10   1.1131
IC C23    C24    C25    C26        1.5344  112.63  177.81  112.75   1.5350
IC C26    C24    *C25   H5R        1.5350  112.75 -121.19  109.09   1.1132
IC H5R    C24    *C25   H5S        1.1132  109.09 -117.33  109.08   1.1133
IC C24    C25    C26    C27        1.5348  112.75  179.27  112.53   1.5359
IC C27    C25    *C26   H6R        1.5359  112.53 -121.31  109.26   1.1132
IC H6R    C25    *C26   H6S        1.1132  109.26 -117.44  109.05   1.1132
IC C25    C26    C27    C28        1.5350  112.53  177.65  112.47   1.5399
IC C28    C26    *C27   H7R        1.5399  112.47 -121.59  108.56   1.1135
IC H7R    C26    *C27   H7S        1.1135  108.56 -116.88  108.73   1.1139
IC C26    C27    C28    C29        1.5359  112.47 -179.09  111.48   1.5100
IC C29    C27    *C28   H8R        1.5100  111.48 -123.55  107.71   1.1131
IC H8R    C27    *C28   H8S        1.1131  107.71 -115.31  108.52   1.1127
IC C27    C28    C29    C210       1.5399  111.48 -120.51  126.65   1.3465
IC C210   C28    *C29   H91        1.3465  126.65  178.55  114.65   1.1012
IC C28    C29    C210   C211       1.5100  126.65   -1.33  126.32   1.5088
IC C211   C29    *C210  H101       1.5088  126.32 -179.89  118.81   1.1013
IC C29    C210   C211   C212       1.3465  126.32   90.84  112.10   1.5393
IC C212   C210   *C211  H11R       1.5393  112.10 -121.27  111.29   1.1133
IC H11R   C210   *C211  H11S       1.1133  111.29 -117.47  110.08   1.1126
IC C210   C211   C212   C213       1.5088  112.10 -179.38  112.20   1.5348
IC C213   C211   *C212  H12R       1.5348  112.20 -121.32  109.91   1.1132
IC H12R   C211   *C212  H12S       1.1132  109.91 -118.08  109.39   1.1144
IC C211   C212   C213   C214       1.5393  112.20  178.10  112.82   1.5344
IC C214   C212   *C213  H13R       1.5344  112.82 -121.13  108.97   1.1134
IC H13R   C212   *C213  H13S       1.1134  108.97 -117.33  109.12   1.1130
IC C212   C213   C214   C215       1.5348  112.82  179.61  112.29   1.5344
IC C215   C213   *C214  H14R       1.5344  112.29 -121.35  109.32   1.1131
IC H14R   C213   *C214  H14S       1.1131  109.32 -117.49  109.04   1.1133
IC C213   C214   C215   C216       1.5344  112.29  178.10  112.83   1.5343
IC C216   C214   *C215  H15R       1.5343  112.83 -121.22  109.06   1.1133
IC H15R   C214   *C215  H15S       1.1133  109.06 -117.27  109.05   1.1132
IC C214   C215   C216   C217       1.5344  112.83  179.20  112.48   1.5338
IC C217   C215   *C216  H16R       1.5338  112.48 -121.30  109.23   1.1131
IC H16R   C215   *C216  H16S       1.1131  109.23 -117.48  109.17   1.1133
IC C215   C216   C217   C218       1.5343  112.48  179.30  113.32   1.5307
IC C218   C216   *C217  H17R       1.5307  113.32 -121.67  108.76   1.1142
IC H17R   C216   *C217  H17S       1.1142  108.76 -116.60  108.71   1.1141
IC C216   C217   C218   H18R       1.5338  113.32  -60.32  110.45   1.1114
IC H18R   C217   *C218  H18S       1.1114  110.45  119.86  110.49   1.1113
IC H18R   C217   *C218  H18T       1.1114  110.45 -120.04  110.58   1.1112
IC C31    C32    C33    C34        1.5287  113.01 -179.36  111.84   1.5345
IC C34    C32    *C33   H3X        1.5345  111.84 -121.48  110.04   1.1135
IC H3X    C32    *C33   H3Y        1.1135  110.04 -117.95  109.39   1.1149
IC C32    C33    C34    C35        1.5453  111.84  178.35  112.93   1.5350
IC C35    C33    *C34   H4X        1.5350  112.93 -121.06  108.92   1.1138
IC H4X    C33    *C34   H4Y        1.1138  108.92 -117.32  109.20   1.1130
IC C33    C34    C35    C36        1.5345  112.93 -179.86  112.46   1.5352
IC C36    C34    *C35   H5X        1.5352  112.46 -121.45  109.25   1.1129
IC H5X    C34    *C35   H5Y        1.1129  109.25 -117.43  109.01   1.1134
IC C34    C35    C36    C37        1.5350  112.46  179.21  112.88   1.5352
IC C37    C35    *C36   H6X        1.5352  112.88 -121.25  109.00   1.1134
IC H6X    C35    *C36   H6Y        1.1134  109.00 -117.27  109.08   1.1131
IC C35    C36    C37    C38        1.5352  112.88  179.79  112.50   1.5352
IC C38    C36    *C37   H7X        1.5352  112.50 -121.35  109.17   1.1130
IC H7X    C36    *C37   H7Y        1.1130  109.17 -117.42  109.08   1.1132
IC C36    C37    C38    C39        1.5352  112.50  179.41  112.91   1.5352
IC C39    C37    *C38   H8X        1.5352  112.91 -121.30  109.04   1.1133
IC H8X    C37    *C38   H8Y        1.1133  109.04 -117.27  109.05   1.1132
IC C37    C38    C39    C310       1.5352  112.91  179.74  112.46   1.5353
IC C310   C38    *C39   H9X        1.5353  112.46 -121.33  109.17   1.1131
IC H9X    C38    *C39   H9Y        1.1131  109.17 -117.42  109.10   1.1132
IC C38    C39    C310   C311       1.5352  112.46  179.50  112.91   1.5350
IC C311   C39    *C310  H10X       1.5350  112.91 -121.32  109.05   1.1133
IC H10X   C39    *C310  H10Y       1.1133  109.05 -117.29  109.05   1.1132
IC C39    C310   C311   C312       1.5353  112.91  179.80  112.52   1.5354
IC C312   C310   *C311  H11X       1.5354  112.52 -121.32  109.16   1.1131
IC H11X   C310   *C311  H11Y       1.1131  109.16 -117.41  109.11   1.1132
IC C310   C311   C312   C313       1.5350  112.52  179.66  112.78   1.5349
IC C313   C311   *C312  H12X       1.5349  112.78 -121.30  109.08   1.1133
IC H12X   C311   *C312  H12Y       1.1133  109.08 -117.35  109.09   1.1132
IC C311   C312   C313   C314       1.5354  112.78  179.95  112.66   1.5353
IC C314   C312   *C313  H13X       1.5353  112.66 -121.33  109.10   1.1131
IC H13X   C312   *C313  H13Y       1.1131  109.10 -117.38  109.07   1.1132
IC C312   C313   C314   C315       1.5349  112.66  179.95  112.69   1.5341
IC C315   C313   *C314  H14X       1.5341  112.69 -121.30  109.17   1.1132
IC H14X   C313   *C314  H14Y       1.1132  109.17 -117.38  109.15   1.1132
IC C313   C314   C315   C316       1.5353  112.69  179.98  113.37   1.5312
IC C316   C314   *C315  H15X       1.5312  113.37 -121.71  108.74   1.1141
IC H15X   C314   *C315  H15Y       1.1141  108.74 -116.61  108.74   1.1141
IC C314   C315   C316   H16X       1.5341  113.37  -59.94  110.51   1.1113
IC H16X   C315   *C316  H16Y       1.1113  110.51  119.91  110.52   1.1113
IC H16X   C315   *C316  H16Z       1.1113  110.51 -120.06  110.58   1.1112

RESI POPS        -1.00 ! 3-palmitoyl-2-oleoyl-D-glycero-1-Phosphatidylserine
!
!  Palmitoyl - CH2        
!              |                 (-)
!     Oleoyl - CH                CO2
!              |     (-)         |    (+)
!              CH2 - PO4 - CH2 - CH - NH3
!
! Polar Head and glycerol backbone
GROUP                  !
ATOM N    NH3L   -0.30 !                HN2
ATOM HN1  HCL     0.33 !                 |
ATOM HN2  HCL     0.33 !                 |
ATOM HN3  HCL     0.33 !                 |
ATOM C12  CTL1    0.21 !       (+) HN1---N---HN3
ATOM H12A HBL     0.10 !                 |
GROUP                  !                 |     O13A (-)
ATOM C13  CCL     0.34 !                 |     ||
ATOM O13A OCL    -0.67 !          H12A--C12----C13---O13B
ATOM O13B OCL    -0.67 !                 |
GROUP                  !                 |     alpha5
ATOM C11  CTL2   -0.08 !                 |
ATOM H11A HAL2    0.09 !          H11A--C11---H11B
ATOM H11B HAL2    0.09 !                 |     alpha4
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.78 !              \ /      alpha3
ATOM O14  O2L    -0.78 !               P (+)
ATOM O12  OSLP   -0.57 !              / \      alpha2
ATOM O11  OSLP   -0.57 !        (-) O14  O11
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              |
ATOM H3R  HAL2    0.09 !        H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C24  CTL2   -0.18 !               |              |
ATOM H4R  HAL2    0.09 !        H4R ---C24---H4S      |
ATOM H4S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C25  CTL2   -0.18 !               |              |
ATOM H5R  HAL2    0.09 !        H5R ---C25---H5S      |
ATOM H5S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C26  CTL2   -0.18 !               |              |
ATOM H6R  HAL2    0.09 !        H6R ---C26---H6S      |
ATOM H6S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C27  CTL2   -0.18 !               |              |
ATOM H7R  HAL2    0.09 !        H7R ---C27---H7S      |
ATOM H7S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C28  CTL2   -0.18 !               |              |
ATOM H8R  HAL2    0.09 !        H8R ---C28---H8S      |
ATOM H8S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C29  CEL1   -0.15 !               |              |
ATOM H91  HEL1    0.15 !        H91 ---C29            |
GROUP                  !               ||  (CIS)      |
ATOM C210 CEL1   -0.15 !               ||             |
ATOM H101 HEL1    0.15 !        H101---C210           |
GROUP                  !               |              |
ATOM C211 CTL2   -0.18 !               |              |
ATOM H11R HAL2    0.09 !        H11R---C211--H11S     |
ATOM H11S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C212 CTL2   -0.18 !               |              |
ATOM H12R HAL2    0.09 !        H12R---C212--H12S     |
ATOM H12S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C213 CTL2   -0.18 !               |              |
ATOM H13R HAL2    0.09 !        H13R---C213--H13S     |
ATOM H13S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C214 CTL2   -0.18 !               |              |
ATOM H14R HAL2    0.09 !        H14R---C214--H14S     |
ATOM H14S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C215 CTL2   -0.18 !               |              |
ATOM H15R HAL2    0.09 !        H15R---C215--H15S     |
ATOM H15S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C216 CTL2   -0.18 !               |              |
ATOM H16R HAL2    0.09 !        H16R---C216--H16S     |
ATOM H16S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C217 CTL2   -0.18 !               |              |
ATOM H17R HAL2    0.09 !        H17R---C217--H17S     |
ATOM H17S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C218 CTL3   -0.27 !               |              |
ATOM H18R HAL3    0.09 !        H18R---C218--H18S     |
ATOM H18S HAL3    0.09 !               |              |
ATOM H18T HAL3    0.09 !              H18T            |
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |
ATOM H3X  HAL2    0.09 !                       H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C34  CTL2   -0.18 !                              |
ATOM H4X  HAL2    0.09 !                       H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C35  CTL2   -0.18 !                              |
ATOM H5X  HAL2    0.09 !                       H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C36  CTL2   -0.18 !                              |
ATOM H6X  HAL2    0.09 !                       H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C37  CTL2   -0.18 !                              |
ATOM H7X  HAL2    0.09 !                       H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C38  CTL2   -0.18 !                              |
ATOM H8X  HAL2    0.09 !                       H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C39  CTL2   -0.18 !                              |
ATOM H9X  HAL2    0.09 !                       H9X ---C39---H9Y
ATOM H9Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C310 CTL2   -0.18 !                              |
ATOM H10X HAL2    0.09 !                       H10X---C310--H10Y
ATOM H10Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C311 CTL2   -0.18 !                              |
ATOM H11X HAL2    0.09 !                       H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C312 CTL2   -0.18 !                              |
ATOM H12X HAL2    0.09 !                       H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C313 CTL2   -0.18 !                              |
ATOM H13X HAL2    0.09 !                       H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C314 CTL2   -0.18 !                              |
ATOM H14X HAL2    0.09 !                       H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C315 CTL2   -0.18 !                              |
ATOM H15X HAL2    0.09 !                       H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C316 CTL3   -0.27 !                              |
ATOM H16X HAL3    0.09 !                       H16X---C316--H16Y
ATOM H16Y HAL3    0.09 !                              |
ATOM H16Z HAL3    0.09 !                              H16Z
 
! Polar Head
BOND  N    HN1       N    HN2       N    HN3       N    C12
BOND  O13B C13       C13  C12
DOUBLE  C13 O13A
BOND  C12  H12A      C12  C11       C1   O11
BOND  C11  H11A      C11  H11B      C11  O12
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H91       
DOUBLE  C29 C210
BOND  C210 H101      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 H16Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32  C13 C12 O13B O13A

!IC table from IC generate, minimized geometry
IC N      C12    C11    O12        1.4892  110.33   60.56  112.04   1.4390
IC N      C12    C13    O13B       1.4892  109.53 -177.41  117.87   1.2553
IC C11    N      *C12   C13        1.5611  110.33 -123.90  109.53   1.5407
IC C13    N      *C12   H12A       1.5407  109.53 -116.02  108.38   1.0781
IC HN1    N      C12    C11        1.0454  110.41 -117.56  110.33   1.5611
IC HN1    C12    *N     HN2        1.0454  110.41  121.15  108.26   1.0580
IC HN1    C12    *N     HN3        1.0454  110.41 -120.80  103.02   1.0474
IC O13B   C12    *C13   O13A       1.2553  117.87  177.95  118.17   1.2648
IC O12    C12    *C11   H11A       1.4390  112.04 -126.32  109.67   1.1172
IC H11A   C12    *C11   H11B       1.1172  109.67 -114.74  107.27   1.1147
IC C12    C11    O12    P          1.5611  112.04  -98.86  120.96   1.5875
IC C11    O12    P      O11        1.4390  120.96  147.32  102.15   1.5764
IC O11    O12    *P     O13        1.5764  102.15  117.22  109.94   1.4724
IC O11    O12    *P     O14        1.5764  102.15 -112.56  106.22   1.4823
IC O12    P      O11    C1         1.5875  102.15   37.44  124.60   1.4242
IC P      O11    C1     C2         1.5764  124.60 -116.16  109.98   1.5498
IC C2     O11    *C1    HA         1.5498  109.98 -117.32  107.50   1.1131
IC HA     O11    *C1    HB         1.1131  107.50 -118.29  113.74   1.1147
IC O11    C1     C2     O21        1.4242  109.98 -146.90  108.63   1.4417
IC O21    C1     *C2    C3         1.4417  108.63 -122.13  111.53   1.5568 !defines S chirality
IC C3     C1     *C2    HS         1.5568  111.53 -118.09  105.71   1.1179 !defines S chirality
IC C1     C2     O21    C21        1.5498  108.63  151.73  114.74   1.3222
IC C2     O21    C21    C22        1.4417  114.74  173.79  108.64   1.5288
IC C22    O21    *C21   O22        1.5288  108.64 -179.69  126.47   1.2177
IC O21    C21    C22    C23        1.3222  108.64  178.90  112.26   1.5451
IC C23    C21    *C22   H2R        1.5451  112.26 -121.78  108.06   1.1089
IC H2R    C21    *C22   H2S        1.1089  108.06 -117.20  107.52   1.1095
IC C1     C2     C3     O31        1.5498  111.53 -171.28  112.79   1.4438
IC O31    C2     *C3    HX         1.4438  112.79  125.24  109.10   1.1078
IC HX     C2     *C3    HY         1.1078  109.10  114.68  107.27   1.1126
IC C2     C3     O31    C31        1.5568  112.79   83.27  115.09   1.3297
IC C3     O31    C31    C32        1.4438  115.09 -171.75  108.79   1.5271
IC C32    O31    *C31   O32        1.5271  108.79 -178.65  125.65   1.2211
IC O31    C31    C32    C33        1.3297  108.79  161.87  112.85   1.5450
IC C33    C31    *C32   H2X        1.5450  112.85 -120.68  107.68   1.1109
IC H2X    C31    *C32   H2Y        1.1109  107.68 -117.29  107.91   1.1085
IC C21    C22    C23    C24        1.5288  112.26  175.83  112.36   1.5338
IC C24    C22    *C23   H3R        1.5338  112.36 -120.78  109.67   1.1148
IC H3R    C22    *C23   H3S        1.1148  109.67 -117.71  109.57   1.1142
IC C22    C23    C24    C25        1.5451  112.36  178.77  112.41   1.5346
IC C25    C23    *C24   H4R        1.5346  112.41 -121.33  109.33   1.1132
IC H4R    C23    *C24   H4S        1.1132  109.33 -117.52  109.03   1.1133
IC C23    C24    C25    C26        1.5338  112.41  176.76  112.74   1.5344
IC C26    C24    *C25   H5R        1.5344  112.74 -121.22  109.09   1.1134
IC H5R    C24    *C25   H5S        1.1134  109.09 -117.24  108.99   1.1133
IC C24    C25    C26    C27        1.5346  112.74  177.93  112.55   1.5355
IC C27    C25    *C26   H6R        1.5355  112.55 -121.24  109.21   1.1132
IC H6R    C25    *C26   H6S        1.1132  109.21 -117.45  108.99   1.1131
IC C25    C26    C27    C28        1.5344  112.55  177.53  112.38   1.5395
IC C28    C26    *C27   H7R        1.5395  112.38 -121.60  108.62   1.1136
IC H7R    C26    *C27   H7S        1.1136  108.62 -116.96  108.55   1.1141
IC C26    C27    C28    C29        1.5355  112.38  179.04  111.48   1.5099
IC C29    C27    *C28   H8R        1.5099  111.48 -123.40  107.63   1.1134
IC H8R    C27    *C28   H8S        1.1134  107.63 -115.31  108.46   1.1127
IC C27    C28    C29    C210       1.5395  111.48 -124.52  126.42   1.3464
IC C210   C28    *C29   H91        1.3464  126.42  178.24  114.73   1.1013
IC C28    C29    C210   C211       1.5099  126.42   -1.71  126.08   1.5090
IC C211   C29    *C210  H101       1.5090  126.08 -179.55  118.87   1.1011
IC C29    C210   C211   C212       1.3464  126.08   89.09  112.29   1.5394
IC C212   C210   *C211  H11R       1.5394  112.29 -121.07  111.01   1.1135
IC H11R   C210   *C211  H11S       1.1135  111.01 -117.45  110.16   1.1125
IC C210   C211   C212   C213       1.5090  112.29 -176.91  112.28   1.5354
IC C213   C211   *C212  H12R       1.5354  112.28 -121.60  109.80   1.1130
IC H12R   C211   *C212  H12S       1.1130  109.80 -117.99  109.42   1.1146
IC C211   C212   C213   C214       1.5394  112.28  179.36  112.72   1.5346
IC C214   C212   *C213  H13R       1.5346  112.72 -121.06  108.92   1.1134
IC H13R   C212   *C213  H13S       1.1134  108.92 -117.38  109.19   1.1129
IC C212   C213   C214   C215       1.5354  112.72 -178.89  112.54   1.5347
IC C215   C213   *C214  H14R       1.5347  112.54 -121.45  109.16   1.1130
IC H14R   C213   *C214  H14S       1.1130  109.16 -117.40  109.07   1.1135
IC C213   C214   C215   C216       1.5346  112.54 -180.00  112.69   1.5347
IC C216   C214   *C215  H15R       1.5347  112.69 -121.21  109.00   1.1133
IC H15R   C214   *C215  H15S       1.1133  109.00 -117.38  109.14   1.1130
IC C214   C215   C216   C217       1.5347  112.69 -179.46  112.66   1.5341
IC C217   C215   *C216  H16R       1.5341  112.66 -121.40  109.16   1.1131
IC H16R   C215   *C216  H16S       1.1131  109.16 -117.37  109.09   1.1134
IC C215   C216   C217   C218       1.5347  112.66 -179.98  113.32   1.5309
IC C218   C216   *C217  H17R       1.5309  113.32 -121.60  108.70   1.1142
IC H17R   C216   *C217  H17S       1.1142  108.70 -116.66  108.79   1.1140
IC C216   C217   C218   H18R       1.5341  113.32  -59.82  110.42   1.1115
IC H18R   C217   *C218  H18S       1.1115  110.42  119.85  110.47   1.1113
IC H18R   C217   *C218  H18T       1.1115  110.42 -120.03  110.61   1.1112
IC C31    C32    C33    C34        1.5271  112.85 -177.68  111.59   1.5339
IC C34    C32    *C33   H3X        1.5339  111.59 -121.61  110.20   1.1136
IC H3X    C32    *C33   H3Y        1.1136  110.20 -118.17  109.28   1.1150
IC C32    C33    C34    C35        1.5450  111.59  176.03  113.15   1.5347
IC C35    C33    *C34   H4X        1.5347  113.15 -120.89  108.78   1.1139
IC H4X    C33    *C34   H4Y        1.1139  108.78 -117.26  109.17   1.1131
IC C33    C34    C35    C36        1.5339  113.15 -179.37  112.00   1.5345
IC C36    C34    *C35   H5X        1.5345  112.00 -121.50  109.37   1.1129
IC H5X    C34    *C35   H5Y        1.1129  109.37 -117.56  109.01   1.1134
IC C34    C35    C36    C37        1.5347  112.00  177.84  113.27   1.5346
IC C37    C35    *C36   H6X        1.5346  113.27 -121.22  108.84   1.1135
IC H6X    C35    *C36   H6Y        1.1135  108.84 -117.10  108.96   1.1132
IC C35    C36    C37    C38        1.5345  113.27 -179.66  111.94   1.5346
IC C38    C36    *C37   H7X        1.5346  111.94 -121.33  109.26   1.1130
IC H7X    C36    *C37   H7Y        1.1130  109.26 -117.59  109.12   1.1132
IC C36    C37    C38    C39        1.5346  111.94  179.12  113.27   1.5344
IC C39    C37    *C38   H8X        1.5344  113.27 -121.37  108.89   1.1134
IC H8X    C37    *C38   H8Y        1.1134  108.89 -117.09  108.92   1.1134
IC C37    C38    C39    C310       1.5346  113.27 -179.84  111.99   1.5347
IC C310   C38    *C39   H9X        1.5347  111.99 -121.24  109.21   1.1130
IC H9X    C38    *C39   H9Y        1.1130  109.21 -117.59  109.19   1.1131
IC C38    C39    C310   C311       1.5344  111.99  179.85  113.15   1.5343
IC C311   C39    *C310  H10X       1.5343  113.15 -121.44  108.93   1.1134
IC H10X   C39    *C310  H10Y       1.1134  108.93 -117.13  108.92   1.1134
IC C39    C310   C311   C312       1.5347  113.15 -179.98  112.17   1.5348
IC C312   C310   *C311  H11X       1.5348  112.17 -121.21  109.15   1.1131
IC H11X   C310   *C311  H11Y       1.1131  109.15 -117.55  109.19   1.1131
IC C310   C311   C312   C313       1.5343  112.17 -179.66  112.96   1.5343
IC C313   C311   *C312  H12X       1.5343  112.96 -121.42  109.01   1.1133
IC H12X   C311   *C312  H12Y       1.1133  109.01 -117.23  109.00   1.1133
IC C311   C312   C313   C314       1.5348  112.96 -179.93  112.38   1.5349
IC C314   C312   *C313  H13X       1.5349  112.38 -121.24  109.09   1.1131
IC H13X   C312   *C313  H13Y       1.1131  109.09 -117.47  109.14   1.1131
IC C312   C313   C314   C315       1.5343  112.38 -179.68  112.83   1.5337
IC C315   C313   *C314  H14X       1.5337  112.83 -121.38  109.07   1.1133
IC H14X   C313   *C314  H14Y       1.1133  109.07 -117.29  109.07   1.1133
IC C313   C314   C315   C316       1.5349  112.83 -179.98  113.22   1.5309
IC C316   C314   *C315  H15X       1.5309  113.22 -121.63  108.75   1.1141
IC H15X   C314   *C315  H15Y       1.1141  108.75 -116.70  108.78   1.1141
IC C314   C315   C316   H16X       1.5337  113.22  -59.85  110.43   1.1113
IC H16X   C315   *C316  H16Y       1.1113  110.43  119.83  110.44   1.1113
IC H16X   C315   *C316  H16Z       1.1113  110.43 -120.08  110.63   1.1111

RESI POPA        -1.00 ! 3-palmitoyl-2-oleoyl-D-glycero-1-Phosphatidic acid
!
!  Palmitoyl - CH2
!              |
!      Oleyl - CH
!              |     (-)
!              CH2 - PO4 - H
!
! Polar Head and glycerol backbone
GROUP                  !                 H12
                       !                 |     
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.82 !              \ /      alpha3
ATOM O14  O2L    -0.82 !               P (+)
ATOM O12  OHL    -0.68 !              / \      alpha2
ATOM H12  HOL     0.34 !        (-) O14  O11
ATOM O11  OSLP   -0.62 !                 |
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              |
ATOM H3R  HAL2    0.09 !        H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C24  CTL2   -0.18 !               |              |
ATOM H4R  HAL2    0.09 !        H4R ---C24---H4S      |
ATOM H4S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C25  CTL2   -0.18 !               |              |
ATOM H5R  HAL2    0.09 !        H5R ---C25---H5S      |
ATOM H5S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C26  CTL2   -0.18 !               |              |
ATOM H6R  HAL2    0.09 !        H6R ---C26---H6S      |
ATOM H6S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C27  CTL2   -0.18 !               |              |
ATOM H7R  HAL2    0.09 !        H7R ---C27---H7S      |
ATOM H7S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C28  CTL2   -0.18 !               |              |
ATOM H8R  HAL2    0.09 !        H8R ---C28---H8S      |
ATOM H8S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C29  CEL1   -0.15 !               |              |
ATOM H91  HEL1    0.15 !        H91 ---C29            |
GROUP                  !               ||  (CIS)      |
ATOM C210 CEL1   -0.15 !               ||             |
ATOM H101 HEL1    0.15 !        H101---C210           |
GROUP                  !               |              |
ATOM C211 CTL2   -0.18 !               |              |
ATOM H11R HAL2    0.09 !        H11R---C211--H11S     |
ATOM H11S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C212 CTL2   -0.18 !               |              |
ATOM H12R HAL2    0.09 !        H12R---C212--H12S     |
ATOM H12S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C213 CTL2   -0.18 !               |              |
ATOM H13R HAL2    0.09 !        H13R---C213--H13S     |
ATOM H13S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C214 CTL2   -0.18 !               |              |
ATOM H14R HAL2    0.09 !        H14R---C214--H14S     |
ATOM H14S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C215 CTL2   -0.18 !               |              |
ATOM H15R HAL2    0.09 !        H15R---C215--H15S     |
ATOM H15S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C216 CTL2   -0.18 !               |              |
ATOM H16R HAL2    0.09 !        H16R---C216--H16S     |
ATOM H16S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C217 CTL2   -0.18 !               |              |
ATOM H17R HAL2    0.09 !        H17R---C217--H17S     |
ATOM H17S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C218 CTL3   -0.27 !               |              |
ATOM H18R HAL3    0.09 !        H18R---C218--H18S     |
ATOM H18S HAL3    0.09 !               |              |
ATOM H18T HAL3    0.09 !              H18T            |
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |
ATOM H3X  HAL2    0.09 !                       H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C34  CTL2   -0.18 !                              |
ATOM H4X  HAL2    0.09 !                       H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C35  CTL2   -0.18 !                              |
ATOM H5X  HAL2    0.09 !                       H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C36  CTL2   -0.18 !                              |
ATOM H6X  HAL2    0.09 !                       H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C37  CTL2   -0.18 !                              |
ATOM H7X  HAL2    0.09 !                       H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C38  CTL2   -0.18 !                              |
ATOM H8X  HAL2    0.09 !                       H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C39  CTL2   -0.18 !                              |
ATOM H9X  HAL2    0.09 !                       H9X ---C39---H9Y
ATOM H9Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C310 CTL2   -0.18 !                              |
ATOM H10X HAL2    0.09 !                       H10X---C310--H10Y
ATOM H10Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C311 CTL2   -0.18 !                              |
ATOM H11X HAL2    0.09 !                       H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C312 CTL2   -0.18 !                              |
ATOM H12X HAL2    0.09 !                       H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C313 CTL2   -0.18 !                              |
ATOM H13X HAL2    0.09 !                       H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C314 CTL2   -0.18 !                              |
ATOM H14X HAL2    0.09 !                       H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C315 CTL2   -0.18 !                              |
ATOM H15X HAL2    0.09 !                       H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C316 CTL3   -0.27 !                              |
ATOM H16X HAL3    0.09 !                       H16X---C316--H16Y
ATOM H16Y HAL3    0.09 !                              |
ATOM H16Z HAL3    0.09 !                              H16Z
 
! Polar Head
BOND  O12  P         P    O11       P    O13       P    O14
BOND  O12  H12       O11  C1
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H91       
DOUBLE  C29 C210
BOND  C210 H101      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 H16Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC H12    O12    P      O11        0.9603  104.90  175.02  104.77   1.5790
IC O12    O11    *P     O13        1.5667  104.77  111.35  112.54   1.4699
IC O12    O11    *P     O14        1.5667  104.77 -111.29  111.81   1.4718
IC O12    P      O11    C1         1.5667  104.77   74.19  120.92   1.4311
IC P      O11    C1     C2         1.5790  120.92 -130.06  110.78   1.5478
IC C2     O11    *C1    HA         1.5478  110.78 -120.11  109.49   1.1119
IC HA     O11    *C1    HB         1.1119  109.49 -119.44  112.98   1.1188
IC O11    C1     C2     O21        1.4311  110.78  170.72  106.82   1.4423
IC O21    C1     *C2    C3         1.4423  106.82 -120.90  110.73   1.5605 !defines S chirality
IC C3     C1     *C2    HS         1.5605  110.73 -118.02  107.55   1.1160 !defines S chirality
IC C1     C2     O21    C21        1.5478  106.82  152.06  115.88   1.3149
IC C2     O21    C21    C22        1.4423  115.88  174.71  108.37   1.5300
IC C22    O21    *C21   O22        1.5300  108.37  179.81  126.94   1.2175
IC O21    C21    C22    C23        1.3149  108.37 -178.59  112.34   1.5450
IC C23    C21    *C22   H2R        1.5450  112.34 -121.58  107.75   1.1090
IC H2R    C21    *C22   H2S        1.1090  107.75 -117.05  107.65   1.1093
IC C1     C2     C3     O31        1.5478  110.73  171.60  113.11   1.4470
IC O31    C2     *C3    HX         1.4470  113.11  126.56  109.07   1.1156
IC HX     C2     *C3    HY         1.1156  109.07  114.23  106.54   1.1130
IC C2     C3     O31    C31        1.5605  113.11   86.70  115.13   1.3282
IC C3     O31    C31    C32        1.4470  115.13 -175.02  108.29   1.5304
IC C32    O31    *C31   O32        1.5304  108.29 -179.30  126.46   1.2152
IC O31    C31    C32    C33        1.3282  108.29  178.67  112.57   1.5449
IC C33    C31    *C32   H2X        1.5449  112.57 -120.87  107.35   1.1099
IC H2X    C31    *C32   H2Y        1.1099  107.35 -117.25  107.83   1.1084
IC C21    C22    C23    C24        1.5300  112.34  179.69  112.29   1.5338
IC C24    C22    *C23   H3R        1.5338  112.29 -121.16  109.58   1.1143
IC H3R    C22    *C23   H3S        1.1143  109.58 -117.64  109.55   1.1144
IC C22    C23    C24    C25        1.5450  112.29  179.90  112.52   1.5347
IC C25    C23    *C24   H4R        1.5347  112.52 -121.27  109.11   1.1133
IC H4R    C23    *C24   H4S        1.1133  109.11 -117.44  109.11   1.1133
IC C23    C24    C25    C26        1.5338  112.52  179.93  112.62   1.5345
IC C26    C24    *C25   H5R        1.5345  112.62 -121.39  109.04   1.1132
IC H5R    C24    *C25   H5S        1.1132  109.04 -117.27  109.05   1.1133
IC C24    C25    C26    C27        1.5347  112.62 -179.86  112.65   1.5355
IC C27    C25    *C26   H6R        1.5355  112.65 -121.31  109.06   1.1132
IC H6R    C25    *C26   H6S        1.1132  109.06 -117.35  109.04   1.1131
IC C25    C26    C27    C28        1.5345  112.65  179.79  112.33   1.5397
IC C28    C26    *C27   H7R        1.5397  112.33 -121.64  108.44   1.1137
IC H7R    C26    *C27   H7S        1.1137  108.44 -116.96  108.77   1.1140
IC C26    C27    C28    C29        1.5355  112.33 -177.65  111.53   1.5098
IC C29    C27    *C28   H8R        1.5098  111.53 -123.76  107.67   1.1128
IC H8R    C27    *C28   H8S        1.1128  107.67 -115.16  108.45   1.1128
IC C27    C28    C29    C210       1.5397  111.53 -118.93  126.95   1.3468
IC C210   C28    *C29   H91        1.3468  126.95  178.64  114.42   1.1012
IC C28    C29    C210   C211       1.5098  126.95   -1.06  126.70   1.5093
IC C211   C29    *C210  H101       1.5093  126.70  179.97  118.62   1.1011
IC C29    C210   C211   C212       1.3468  126.70   96.43  111.97   1.5393
IC C212   C210   *C211  H11R       1.5393  111.97 -121.33  111.63   1.1129
IC H11R   C210   *C211  H11S       1.1129  111.63 -117.66  109.97   1.1125
IC C210   C211   C212   C213       1.5093  111.97 -179.20  112.31   1.5355
IC C213   C211   *C212  H12R       1.5355  112.31 -121.28  109.77   1.1133
IC H12R   C211   *C212  H12S       1.1133  109.77 -118.03  109.44   1.1145
IC C211   C212   C213   C214       1.5393  112.31 -179.38  112.67   1.5346
IC C214   C212   *C213  H13R       1.5346  112.67 -121.30  109.02   1.1133
IC H13R   C212   *C213  H13S       1.1133  109.02 -117.38  109.09   1.1129
IC C212   C213   C214   C215       1.5355  112.67  179.76  112.66   1.5349
IC C215   C213   *C214  H14R       1.5349  112.66 -121.34  109.11   1.1131
IC H14R   C213   *C214  H14S       1.1131  109.11 -117.34  109.05   1.1134
IC C213   C214   C215   C216       1.5346  112.66 -179.43  112.59   1.5348
IC C216   C214   *C215  H15R       1.5348  112.59 -121.30  109.06   1.1133
IC H15R   C214   *C215  H15S       1.1133  109.06 -117.41  109.12   1.1130
IC C214   C215   C216   C217       1.5349  112.59 -179.92  112.76   1.5340
IC C217   C215   *C216  H16R       1.5340  112.76 -121.38  109.12   1.1131
IC H16R   C215   *C216  H16S       1.1131  109.12 -117.32  109.09   1.1134
IC C215   C216   C217   C218       1.5348  112.76 -179.79  113.22   1.5309
IC C218   C216   *C217  H17R       1.5309  113.22 -121.60  108.73   1.1142
IC H17R   C216   *C217  H17S       1.1142  108.73 -116.70  108.81   1.1140
IC C216   C217   C218   H18R       1.5340  113.22  -59.81  110.41   1.1115
IC H18R   C217   *C218  H18S       1.1115  110.41  119.81  110.47   1.1113
IC H18R   C217   *C218  H18T       1.1115  110.41 -120.04  110.64   1.1111
IC C31    C32    C33    C34        1.5304  112.57 -179.65  112.12   1.5339
IC C34    C32    *C33   H3X        1.5339  112.12 -121.49  109.73   1.1140
IC H3X    C32    *C33   H3Y        1.1140  109.73 -117.57  109.29   1.1149
IC C32    C33    C34    C35        1.5449  112.12  179.11  112.65   1.5346
IC C35    C33    *C34   H4X        1.5346  112.65 -121.15  108.95   1.1134
IC H4X    C33    *C34   H4Y        1.1134  108.95 -117.42  109.10   1.1130
IC C33    C34    C35    C36        1.5339  112.65  179.84  112.55   1.5345
IC C36    C34    *C35   H5X        1.5345  112.55 -121.46  109.09   1.1132
IC H5X    C34    *C35   H5Y        1.1132  109.09 -117.21  108.95   1.1134
IC C34    C35    C36    C37        1.5346  112.55  179.40  112.70   1.5345
IC C37    C35    *C36   H6X        1.5345  112.70 -121.28  108.98   1.1132
IC H6X    C35    *C36   H6Y        1.1132  108.98 -117.31  109.01   1.1131
IC C35    C36    C37    C38        1.5345  112.70  179.82  112.55   1.5346
IC C38    C36    *C37   H7X        1.5346  112.55 -121.38  109.08   1.1132
IC H7X    C36    *C37   H7Y        1.1132  109.08 -117.30  109.01   1.1133
IC C36    C37    C38    C39        1.5345  112.55  179.54  112.66   1.5345
IC C39    C37    *C38   H8X        1.5345  112.66 -121.30  109.03   1.1132
IC H8X    C37    *C38   H8Y        1.1132  109.03 -117.33  109.03   1.1132
IC C37    C38    C39    C310       1.5346  112.66  179.81  112.56   1.5345
IC C310   C38    *C39   H9X        1.5345  112.56 -121.34  109.08   1.1132
IC H9X    C38    *C39   H9Y        1.1132  109.08 -117.34  109.04   1.1133
IC C38    C39    C310   C311       1.5345  112.56  179.67  112.65   1.5345
IC C311   C39    *C310  H10X       1.5345  112.65 -121.31  109.06   1.1132
IC H10X   C39    *C310  H10Y       1.1132  109.06 -117.34  109.05   1.1132
IC C39    C310   C311   C312       1.5345  112.65  179.83  112.56   1.5345
IC C312   C310   *C311  H11X       1.5345  112.56 -121.33  109.09   1.1132
IC H11X   C310   *C311  H11Y       1.1132  109.09 -117.36  109.07   1.1132
IC C310   C311   C312   C313       1.5345  112.56  179.76  112.66   1.5345
IC C313   C311   *C312  H12X       1.5345  112.66 -121.31  109.07   1.1132
IC H12X   C311   *C312  H12Y       1.1132  109.07 -117.35  109.06   1.1132
IC C311   C312   C313   C314       1.5345  112.66  179.88  112.58   1.5347
IC C314   C312   *C313  H13X       1.5347  112.58 -121.32  109.09   1.1132
IC H13X   C312   *C313  H13Y       1.1132  109.09 -117.37  109.07   1.1132
IC C312   C313   C314   C315       1.5345  112.58  179.85  112.70   1.5339
IC C315   C313   *C314  H14X       1.5339  112.70 -121.32  109.10   1.1132
IC H14X   C313   *C314  H14Y       1.1132  109.10 -117.34  109.09   1.1132
IC C313   C314   C315   C316       1.5347  112.70  179.95  113.30   1.5309
IC C316   C314   *C315  H15X       1.5309  113.30 -121.68  108.74   1.1141
IC H15X   C314   *C315  H15Y       1.1141  108.74 -116.64  108.74   1.1141
IC C314   C315   C316   H16X       1.5339  113.30  -59.96  110.44   1.1113
IC H16X   C315   *C316  H16Y       1.1113  110.44  119.85  110.44   1.1113
IC H16X   C315   *C316  H16Z       1.1113  110.44 -120.07  110.60   1.1112

RESI POPG        -1.00 ! 3-palmitoyl-2-oleoyl-D-glycero-1-Phosphatidylglycerol
!
!  Palmitoyl - CH2
!              |
!      Oleoyl- CH
!              |
!              CH2 - PO4 - CH2 - CH(OH) - CH2OH
!
! Polar Head and glycerol backbone
GROUP                  !
ATOM C13  CTL2    0.05 !
ATOM H13A HAL2    0.09 !                H13A
ATOM H13B HAL2    0.09 !                 |
ATOM OC3  OHL    -0.65 !                 |
ATOM HO3  HOL     0.42 !          H13B--C13---OC3--HO3
GROUP                  !                 |
ATOM C12  CTL1    0.14 !                 |
ATOM H12A HAL1    0.09 !                 |
ATOM OC2  OHL    -0.65 !          H12A--C12---OC2--HO2
ATOM HO2  HOL     0.42 !                 |
GROUP                  !                 |     alpha5
ATOM C11  CTL2   -0.08 !                 |
ATOM H11A HAL2    0.09 !          H11A--C11---H11B
ATOM H11B HAL2    0.09 !                 |     alpha4
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.78 !              \ /      alpha3
ATOM O14  O2L    -0.78 !               P (+)
ATOM O12  OSLP   -0.57 !              / \      alpha2
ATOM O11  OSLP   -0.57 !        (-) O14  O11
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              |
ATOM H3R  HAL2    0.09 !        H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C24  CTL2   -0.18 !               |              |
ATOM H4R  HAL2    0.09 !        H4R ---C24---H4S      |
ATOM H4S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C25  CTL2   -0.18 !               |              |
ATOM H5R  HAL2    0.09 !        H5R ---C25---H5S      |
ATOM H5S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C26  CTL2   -0.18 !               |              |
ATOM H6R  HAL2    0.09 !        H6R ---C26---H6S      |
ATOM H6S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C27  CTL2   -0.18 !               |              |
ATOM H7R  HAL2    0.09 !        H7R ---C27---H7S      |
ATOM H7S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C28  CTL2   -0.18 !               |              |
ATOM H8R  HAL2    0.09 !        H8R ---C28---H8S      |
ATOM H8S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C29  CEL1   -0.15 !               |              |
ATOM H91  HEL1    0.15 !        H91 ---C29            |
GROUP                  !               ||  (CIS)      |
ATOM C210 CEL1   -0.15 !               ||             |
ATOM H101 HEL1    0.15 !        H101---C210           |
GROUP                  !               |              |
ATOM C211 CTL2   -0.18 !               |              |
ATOM H11R HAL2    0.09 !        H11R---C211--H11S     |
ATOM H11S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C212 CTL2   -0.18 !               |              |
ATOM H12R HAL2    0.09 !        H12R---C212--H12S     |
ATOM H12S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C213 CTL2   -0.18 !               |              |
ATOM H13R HAL2    0.09 !        H13R---C213--H13S     |
ATOM H13S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C214 CTL2   -0.18 !               |              |
ATOM H14R HAL2    0.09 !        H14R---C214--H14S     |
ATOM H14S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C215 CTL2   -0.18 !               |              |
ATOM H15R HAL2    0.09 !        H15R---C215--H15S     |
ATOM H15S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C216 CTL2   -0.18 !               |              |
ATOM H16R HAL2    0.09 !        H16R---C216--H16S     |
ATOM H16S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C217 CTL2   -0.18 !               |              |
ATOM H17R HAL2    0.09 !        H17R---C217--H17S     |
ATOM H17S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C218 CTL3   -0.27 !               |              |
ATOM H18R HAL3    0.09 !        H18R---C218--H18S     |
ATOM H18S HAL3    0.09 !               |              |
ATOM H18T HAL3    0.09 !              H18T            |
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |
ATOM H3X  HAL2    0.09 !                       H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C34  CTL2   -0.18 !                              |
ATOM H4X  HAL2    0.09 !                       H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C35  CTL2   -0.18 !                              |
ATOM H5X  HAL2    0.09 !                       H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C36  CTL2   -0.18 !                              |
ATOM H6X  HAL2    0.09 !                       H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C37  CTL2   -0.18 !                              |
ATOM H7X  HAL2    0.09 !                       H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C38  CTL2   -0.18 !                              |
ATOM H8X  HAL2    0.09 !                       H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C39  CTL2   -0.18 !                              |
ATOM H9X  HAL2    0.09 !                       H9X ---C39---H9Y
ATOM H9Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C310 CTL2   -0.18 !                              |
ATOM H10X HAL2    0.09 !                       H10X---C310--H10Y
ATOM H10Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C311 CTL2   -0.18 !                              |
ATOM H11X HAL2    0.09 !                       H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C312 CTL2   -0.18 !                              |
ATOM H12X HAL2    0.09 !                       H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C313 CTL2   -0.18 !                              |
ATOM H13X HAL2    0.09 !                       H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C314 CTL2   -0.18 !                              |
ATOM H14X HAL2    0.09 !                       H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C315 CTL2   -0.18 !                              |
ATOM H15X HAL2    0.09 !                       H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C316 CTL3   -0.27 !                              |
ATOM H16X HAL3    0.09 !                       H16X---C316--H16Y
ATOM H16Y HAL3    0.09 !                              |
ATOM H16Z HAL3    0.09 !                              H16Z
 
! Polar Head
BOND  HO3  OC3       OC3  C13       C13  H13A      C13  H13B      C13  C12
BOND  HO2  OC2       OC2  C12       C12  H12A      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2        
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H91       
DOUBLE  C29 C210
BOND  C210 H101      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 H16Z

IMPR C21 O21 C22 O22    C31 O31 C32 O32

!IC table from IC generate, minimized geometry
IC C13    C12    C11    O12        1.5527  112.85 -172.43  115.75   1.4326
IC OC3    C13    C12    C11        1.4270  111.28   66.71  112.85   1.5633
IC C11    C13    *C12   OC2        1.5633  112.85 -123.90  110.15   1.4283
IC OC3    C12    *C13   H13A       1.4270  111.28  119.84  108.43   1.1124
IC OC3    C12    *C13   H13B       1.4270  111.28 -121.62  109.64   1.1108
IC C12    C13    OC3    HO3        1.5527  111.28   31.95  102.00   0.9699
IC OC2    C13    *C12   H12A       1.4283  110.15 -117.28  107.28   1.1148
IC C13    C12    OC2    HO2        1.5527  110.15 -171.78  103.00   0.9822
IC O12    C12    *C11   H11A       1.4326  115.75 -123.85  108.44   1.1130
IC H11A   C12    *C11   H11B       1.1130  108.44 -115.56  107.30   1.1122
IC C12    C11    O12    P          1.5633  115.75  -47.69  121.24   1.5793
IC C11    O12    P      O11        1.4326  121.24 -163.05  101.81   1.5842
IC O11    O12    *P     O13        1.5842  101.81  115.87  108.46   1.4772
IC O11    O12    *P     O14        1.5842  101.81 -115.89  106.55   1.4794
IC O12    P      O11    C1         1.5793  101.81   52.06  120.97   1.4307
IC P      O11    C1     C2         1.5842  120.97 -123.35  111.16   1.5486
IC C2     O11    *C1    HA         1.5486  111.16 -119.56  109.11   1.1121
IC HA     O11    *C1    HB         1.1121  109.11 -119.08  113.21   1.1182
IC O11    C1     C2     O21        1.4307  111.16  174.21  106.66   1.4420
IC O21    C1     *C2    C3         1.4420  106.66 -120.98  111.16   1.5605 !defines S chirality
IC C3     C1     *C2    HS         1.5605  111.16 -118.20  107.43   1.1163 !defines S chirality
IC C1     C2     O21    C21        1.5486  106.66  151.72  115.89   1.3162
IC C2     O21    C21    C22        1.4420  115.89  174.64  108.39   1.5300
IC C22    O21    *C21   O22        1.5300  108.39  179.62  126.87   1.2174
IC O21    C21    C22    C23        1.3162  108.39 -178.91  112.40   1.5451
IC C23    C21    *C22   H2R        1.5451  112.40 -121.55  107.75   1.1090
IC H2R    C21    *C22   H2S        1.1090  107.75 -117.07  107.65   1.1094
IC C1     C2     C3     O31        1.5486  111.16  173.26  113.08   1.4465
IC O31    C2     *C3    HX         1.4465  113.08  126.36  109.19   1.1155
IC HX     C2     *C3    HY         1.1155  109.19  114.42  106.70   1.1130
IC C2     C3     O31    C31        1.5605  113.08   85.33  114.98   1.3287
IC C3     O31    C31    C32        1.4465  114.98 -175.76  108.36   1.5299
IC C32    O31    *C31   O32        1.5299  108.36 -179.46  126.35   1.2156
IC O31    C31    C32    C33        1.3287  108.36  179.34  112.58   1.5448
IC C33    C31    *C32   H2X        1.5448  112.58 -120.90  107.34   1.1099
IC H2X    C31    *C32   H2Y        1.1099  107.34 -117.24  107.84   1.1085
IC C21    C22    C23    C24        1.5300  112.40  179.84  112.28   1.5340
IC C24    C22    *C23   H3R        1.5340  112.28 -121.15  109.56   1.1144
IC H3R    C22    *C23   H3S        1.1144  109.56 -117.66  109.59   1.1144
IC C22    C23    C24    C25        1.5451  112.28 -179.93  112.52   1.5348
IC C25    C23    *C24   H4R        1.5348  112.52 -121.28  109.14   1.1133
IC H4R    C23    *C24   H4S        1.1133  109.14 -117.44  109.11   1.1133
IC C23    C24    C25    C26        1.5340  112.52  179.89  112.69   1.5347
IC C26    C24    *C25   H5R        1.5347  112.69 -121.36  109.01   1.1132
IC H5R    C24    *C25   H5S        1.1132  109.01 -117.25  109.07   1.1133
IC C24    C25    C26    C27        1.5348  112.69 -179.62  112.61   1.5356
IC C27    C25    *C26   H6R        1.5356  112.61 -121.31  109.08   1.1132
IC H6R    C25    *C26   H6S        1.1132  109.08 -117.38  109.05   1.1131
IC C25    C26    C27    C28        1.5347  112.61  179.89  112.39   1.5398
IC C28    C26    *C27   H7R        1.5398  112.39 -121.64  108.41   1.1137
IC H7R    C26    *C27   H7S        1.1137  108.41 -116.93  108.78   1.1140
IC C26    C27    C28    C29        1.5356  112.39 -177.47  111.53   1.5098
IC C29    C27    *C28   H8R        1.5098  111.53 -123.70  107.68   1.1128
IC H8R    C27    *C28   H8S        1.1128  107.68 -115.21  108.48   1.1128
IC C27    C28    C29    C210       1.5398  111.53 -118.23  126.87   1.3467
IC C210   C28    *C29   H91        1.3467  126.87  178.64  114.46   1.1012
IC C28    C29    C210   C211       1.5098  126.87   -1.03  126.59   1.5093
IC C211   C29    *C210  H101       1.5093  126.59  179.83  118.67   1.1011
IC C29    C210   C211   C212       1.3467  126.59   93.85  111.91   1.5393
IC C212   C210   *C211  H11R       1.5393  111.91 -121.29  111.52   1.1130
IC H11R   C210   *C211  H11S       1.1130  111.52 -117.67  110.00   1.1125
IC C210   C211   C212   C213       1.5093  111.91 -179.44  112.42   1.5355
IC C213   C211   *C212  H12R       1.5355  112.42 -121.31  109.78   1.1133
IC H12R   C211   *C212  H12S       1.1133  109.78 -117.99  109.39   1.1145
IC C211   C212   C213   C214       1.5393  112.42 -179.85  112.61   1.5347
IC C214   C212   *C213  H13R       1.5347  112.61 -121.24  109.06   1.1133
IC H13R   C212   *C213  H13S       1.1133  109.06 -117.42  109.11   1.1129
IC C212   C213   C214   C215       1.5355  112.61  179.58  112.66   1.5348
IC C215   C213   *C214  H14R       1.5348  112.66 -121.34  109.11   1.1131
IC H14R   C213   *C214  H14S       1.1131  109.11 -117.35  109.06   1.1134
IC C213   C214   C215   C216       1.5347  112.66 -179.86  112.61   1.5349
IC C216   C214   *C215  H15R       1.5349  112.61 -121.26  109.07   1.1133
IC H15R   C214   *C215  H15S       1.1133  109.07 -117.41  109.12   1.1130
IC C214   C215   C216   C217       1.5348  112.61  179.90  112.71   1.5340
IC C217   C215   *C216  H16R       1.5340  112.71 -121.38  109.14   1.1131
IC H16R   C215   *C216  H16S       1.1131  109.14 -117.33  109.09   1.1134
IC C215   C216   C217   C218       1.5349  112.71  180.00  113.31   1.5310
IC C218   C216   *C217  H17R       1.5310  113.31 -121.61  108.71   1.1142
IC H17R   C216   *C217  H17S       1.1142  108.71 -116.68  108.78   1.1140
IC C216   C217   C218   H18R       1.5340  113.31  -59.87  110.43   1.1115
IC H18R   C217   *C218  H18S       1.1115  110.43  119.84  110.48   1.1112
IC H18R   C217   *C218  H18T       1.1115  110.43 -120.02  110.62   1.1112
IC C31    C32    C33    C34        1.5299  112.58 -179.46  112.10   1.5339
IC C34    C32    *C33   H3X        1.5339  112.10 -121.48  109.72   1.1140
IC H3X    C32    *C33   H3Y        1.1140  109.72 -117.58  109.31   1.1149
IC C32    C33    C34    C35        1.5448  112.10  179.21  112.66   1.5346
IC C35    C33    *C34   H4X        1.5346  112.66 -121.16  108.94   1.1134
IC H4X    C33    *C34   H4Y        1.1134  108.94 -117.41  109.10   1.1130
IC C33    C34    C35    C36        1.5339  112.66 -179.91  112.56   1.5346
IC C36    C34    *C35   H5X        1.5346  112.56 -121.46  109.07   1.1132
IC H5X    C34    *C35   H5Y        1.1132  109.07 -117.21  108.96   1.1134
IC C34    C35    C36    C37        1.5346  112.56  179.56  112.70   1.5346
IC C37    C35    *C36   H6X        1.5346  112.70 -121.29  108.98   1.1132
IC H6X    C35    *C36   H6Y        1.1132  108.98 -117.32  109.02   1.1131
IC C35    C36    C37    C38        1.5346  112.70  179.89  112.56   1.5347
IC C38    C36    *C37   H7X        1.5347  112.56 -121.38  109.07   1.1132
IC H7X    C36    *C37   H7Y        1.1132  109.07 -117.30  109.01   1.1133
IC C36    C37    C38    C39        1.5346  112.56  179.63  112.69   1.5346
IC C39    C37    *C38   H8X        1.5346  112.69 -121.30  109.02   1.1132
IC H8X    C37    *C38   H8Y        1.1132  109.02 -117.33  109.03   1.1132
IC C37    C38    C39    C310       1.5347  112.69  179.94  112.58   1.5346
IC C310   C38    *C39   H9X        1.5346  112.58 -121.36  109.09   1.1132
IC H9X    C38    *C39   H9Y        1.1132  109.09 -117.34  109.04   1.1132
IC C38    C39    C310   C311       1.5346  112.58  179.62  112.67   1.5346
IC C311   C39    *C310  H10X       1.5346  112.67 -121.29  109.04   1.1132
IC H10X   C39    *C310  H10Y       1.1132  109.04 -117.34  109.06   1.1132
IC C39    C310   C311   C312       1.5346  112.67 -179.93  112.59   1.5346
IC C312   C310   *C311  H11X       1.5346  112.59 -121.36  109.10   1.1132
IC H11X   C310   *C311  H11Y       1.1132  109.10 -117.36  109.05   1.1132
IC C310   C311   C312   C313       1.5346  112.59  179.64  112.65   1.5346
IC C313   C311   *C312  H12X       1.5346  112.65 -121.28  109.06   1.1132
IC H12X   C311   *C312  H12Y       1.1132  109.06 -117.36  109.08   1.1132
IC C311   C312   C313   C314       1.5346  112.65 -179.95  112.60   1.5348
IC C314   C312   *C313  H13X       1.5348  112.60 -121.34  109.09   1.1132
IC H13X   C312   *C313  H13Y       1.1132  109.09 -117.37  109.06   1.1132
IC C312   C313   C314   C315       1.5346  112.60  179.75  112.70   1.5339
IC C315   C313   *C314  H14X       1.5339  112.70 -121.31  109.09   1.1132
IC H14X   C313   *C314  H14Y       1.1132  109.09 -117.35  109.10   1.1132
IC C313   C314   C315   C316       1.5348  112.70  179.98  113.30   1.5309
IC C316   C314   *C315  H15X       1.5309  113.30 -121.68  108.75   1.1141
IC H15X   C314   *C315  H15Y       1.1141  108.75 -116.64  108.73   1.1141
IC C314   C315   C316   H16X       1.5339  113.30  -59.99  110.44   1.1113
IC H16X   C315   *C316  H16Y       1.1113  110.44  119.85  110.44   1.1113
IC H16X   C315   *C316  H16Z       1.1113  110.44 -120.07  110.60   1.1112

RESI SAPC         0.00 ! 3-stearoyl-2-arachidonyl-D-glycero-1-phosphatidylcholine
!
!    Stearoyl - CH2        
!               |  
! Arachidonyl - CH
!               |     (-)              (+)
!               CH2 - PO4 - CH2 - CH2 - N-(CH3)3
! Polar Head and glycerol backbone
!
GROUP                  !               H15B
ATOM N    NTL    -0.60 !                 |
ATOM C12  CTL2   -0.10 !           H15A-C15-H15C
ATOM H12A HL      0.25 !                 |
ATOM H12B HL      0.25 !         H13B    |    H14A
ATOM C13  CTL5   -0.35 !           |     |     |
ATOM H13A HL      0.25 !     H13A-C13----N----C14-H14B     (+)
ATOM H13B HL      0.25 !           |     |     |
ATOM H13C HL      0.25 !         H13C    |    H14C
ATOM C14  CTL5   -0.35 !                 |
ATOM H14A HL      0.25 !                 |
ATOM H14B HL      0.25 !                 |    alpha6
ATOM H14C HL      0.25 !                 |
ATOM C15  CTL5   -0.35 !                 |
ATOM H15A HL      0.25 !          H12A--C12---H12B
ATOM H15B HL      0.25 !                 |
ATOM H15C HL      0.25 !                 |
GROUP                  !                 |     alpha5
ATOM C11  CTL2   -0.08 !                 |
ATOM H11A HAL2    0.09 !          H11A--C11---H11B
ATOM H11B HAL2    0.09 !                 |     alpha4
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.78 !              \ /      alpha3
ATOM O14  O2L    -0.78 !               P (+)
ATOM O12  OSLP   -0.57 !              / \      alpha2
ATOM O11  OSLP   -0.57 !        (-) O14  O11
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              |
ATOM H3R  HAL2    0.09 !        H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C24  CTL2   -0.18 !               |              |
ATOM H4R  HAL2    0.09 !        H4R ---C24---H4S      |
ATOM H4S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C25  CEL1   -0.15 !               |              |
ATOM H5R  HEL1    0.15 !        H5R ---C25            |
GROUP                  !               |!  (CIS)      |
ATOM C26  CEL1   -0.15 !               |!             |
ATOM H6R  HEL1    0.15 !        H6R ---C26            |
GROUP                  !               |              |
ATOM C27  CTL2   -0.18 !               |              |
ATOM H7R  HAL2    0.09 !        H7R ---C27---H7S      |
ATOM H7S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C28  CEL1   -0.15 !               |              |
ATOM H8R  HEL1    0.15 !        H8R ---C28            |
GROUP                  !               |!  (CIS)      |
ATOM C29  CEL1   -0.15 !               |!             |
ATOM H9R  HEL1    0.15 !        H9R ---C29            |
GROUP                  !               |              |
ATOM C210 CTL2   -0.18 !               |              |
ATOM H10R HAL2    0.09 !        H10R---C210--H10S     |
ATOM H10S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C211 CEL1   -0.15 !               |              |
ATOM H11R HEL1    0.15 !        H11R---C211           |
GROUP                  !               |!  (CIS)      |
ATOM C212 CEL1   -0.15 !               |!             |
ATOM H12R HEL1    0.15 !        H12R---C212           |
GROUP                  !               |              |
ATOM C213 CTL2   -0.18 !               |              |
ATOM H13R HAL2    0.09 !        H13R---C213--H13S     |
ATOM H13S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C214 CEL1   -0.15 !               |              |
ATOM H14R HEL1    0.15 !        H14R---C214           |
GROUP                  !               |!  (CIS)      |
ATOM C215 CEL1   -0.15 !               |!             |
ATOM H15R HEL1    0.15 !        H15R---C215           |
GROUP                  !               |              |
ATOM C216 CTL2   -0.18 !               |              |
ATOM H16R HAL2    0.09 !        H16R---C216--H16S     |
ATOM H16S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C217 CTL2   -0.18 !               |              |
ATOM H17R HAL2    0.09 !        H17R---C217--H17S     |
ATOM H17S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C218 CTL2   -0.27 !               |              |
ATOM H18R HAL2    0.09 !        H18R---C218--H18S     |
ATOM H18S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C219 CTL2   -0.18 !               |              |
ATOM H19R HAL2    0.09 !        H19R---C219--H19S     |
ATOM H19S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C220 CTL3   -0.18 !               |              |
ATOM H20R HAL3    0.09 !        H20R---C220--H20S     |
ATOM H20S HAL3    0.09 !               |              |
ATOM H20T HAL3    0.09 !              H20T            |
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |
ATOM H3X  HAL2    0.09 !                       H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C34  CTL2   -0.18 !                              |
ATOM H4X  HAL2    0.09 !                       H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C35  CTL2   -0.18 !                              |
ATOM H5X  HAL2    0.09 !                       H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C36  CTL2   -0.18 !                              |
ATOM H6X  HAL2    0.09 !                       H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C37  CTL2   -0.18 !                              |
ATOM H7X  HAL2    0.09 !                       H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C38  CTL2   -0.18 !                              |
ATOM H8X  HAL2    0.09 !                       H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C39  CTL2   -0.18 !                              |
ATOM H9X  HAL2    0.09 !                       H9X ---C39---H9Y
ATOM H9Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C310 CTL2   -0.18 !                              |
ATOM H10X HAL2    0.09 !                       H10X---C310--H10Y
ATOM H10Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C311 CTL2   -0.18 !                              |
ATOM H11X HAL2    0.09 !                       H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C312 CTL2   -0.18 !                              |
ATOM H12X HAL2    0.09 !                       H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C313 CTL2   -0.18 !                              |
ATOM H13X HAL2    0.09 !                       H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C314 CTL2   -0.18 !                              |
ATOM H14X HAL2    0.09 !                       H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C315 CTL2   -0.18 !                              |
ATOM H15X HAL2    0.09 !                       H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C316 CTL2   -0.18 !                              |
ATOM H16X HAL2    0.09 !                       H16X---C316--H16Y
ATOM H16Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C317 CTL2   -0.18 !                              |
ATOM H17X HAL2    0.09 !                       H17X---C317--H17Y
ATOM H17Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C318 CTL3   -0.27 !                              |
ATOM H18X HAL3    0.09 !                       H18X---C318--H18Y
ATOM H18Y HAL3    0.09 !                              |
ATOM H18Z HAL3    0.09 !                              H18Z
 
! Polar Head
BOND  N    C13       N    C14       N    C15
BOND  C13  H13A      C13  H13B      C13  H13C
BOND  C14  H14A      C14  H14B      C14  H14C
BOND  C15  H15A      C15  H15B      C15  H15C
BOND  N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R
DOUBLE  C25 C26
BOND  C26  H6R       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R
DOUBLE  C28 C29
BOND  C29  H9R       C29  C210
BOND  C210 H10R      C210 H10S      C210 C211
BOND  C211 H11R
DOUBLE  C211 C212
BOND  C212 H12R      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R
DOUBLE  C214 C215
BOND  C215 H15R      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 C219
BOND  C219 H19R      C219 H19S      C219 C220
BOND  C220 H20R      C220 H20S      C220 H20T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z
IMPR C21 O21 C22 O22    C31 O31 C32 O32
!IC table from IC generate, geometry is guessed
IC C13   N     C12   C11    1.4894  108.75  169.53  117.05   1.5301
IC C13   C12   *N    C14    1.4894  108.75  116.38  106.66   1.5005
IC C13   C12   *N    C15    1.4894  108.75 -122.91  111.69   1.4923
IC C11   N     *C12  H12A   1.5301  117.05 -126.36  111.92   1.0785
IC H12A  N     *C12  H12B   1.0785  111.92 -115.08  107.27   1.0941
IC C14   N     C13   H13A   1.5005  108.12   58.37  111.66   1.0796
IC H13A  N     *C13  H13B   1.0796  111.66  122.61  111.57   1.0840
IC H13A  N     *C13  H13C   1.0796  111.66 -119.50  108.70   1.0918
IC C13   N     C14   H14A   1.4894  108.12  166.58  110.73   1.0972
IC H14A  N     *C14  H14B   1.0972  110.73  123.94  113.75   1.0745
IC H14A  N     *C14  H14C   1.0972  110.73 -112.48  110.16   1.0903
IC C13   N     C15   H15A   1.4894  111.05   59.17  110.92   1.0811
IC H15A  N     *C15  H15B   1.0811  110.92  119.25  109.28   1.0863
IC H15A  N     *C15  H15C   1.0811  110.92 -121.78  110.77   1.0814
IC N     C12   C11   O12    1.5138  117.05  141.06  105.81   1.4195
IC O12   C12   *C11  H11A   1.4195  105.81 -123.27  113.13   1.1166
IC H11A  C12   *C11  H11B   1.1166  113.13 -119.01  109.98   1.1100
IC C12   C11   O12   P      1.5301  105.81  -96.66  119.22   1.5958
IC C11   O12   P     O11    1.4195  119.22  146.34  101.18   1.5867
IC O11   O12   *P    O13    1.5867  101.18 -114.47  107.73   1.4832
IC O11   O12   *P    O14    1.5867  101.18  116.82  109.30   1.4741
IC O12   P     O11   C1     1.5958  101.18  -87.51  122.31   1.4271
IC P     O11   C1    C2     1.5867  122.31   99.45  111.45   1.5517
IC C2    O11   *C1   HA     1.5517  111.45  117.99  107.86   1.1119
IC HA    O11   *C1   HB     1.1119  107.86  116.85  112.59   1.1137
IC O11   C1    C2    O21    1.4271  111.45 -175.58  109.40   1.4420
IC O21   C1    *C2   C3     1.4420  109.40 -121.10  110.56   1.5561
IC C3    C1    *C2   HS     1.5561  110.56 -116.88  109.10   1.1148
IC C1    C2    O21   C21    1.5517  109.40   75.31  115.18   1.3240
IC C2    O21   C21   C22    1.4420  115.18 -167.64  109.38   1.5349
IC C22   O21   *C21  O22    1.5349  109.38  177.97  125.87   1.2208
IC O21   C21   C22   C23    1.3240  109.38 -106.88  114.46   1.5510
IC C23   C21   *C22  H2R    1.5510  114.46  120.85  107.59   1.1114
IC H2R   C21   *C22  H2S    1.1114  107.59  115.88  108.08   1.1076
IC C1    C2    C3    O31    1.5517  110.56 -174.46  111.33   1.4462
IC O31   C2    *C3   HX     1.4462  111.33 -122.32  107.11   1.1154
IC HX    C2    *C3   HY     1.1154  107.11 -116.45  107.97   1.1151
IC C2    C3    O31   C31    1.5561  111.33 -170.38  113.09   1.3331
IC C3    O31   C31   C32    1.4462  113.09 -178.75  108.33   1.5405
IC C32   O31   *C31  O32    1.5405  108.33 -179.57  125.60   1.2151
IC O31   C31   C32   C33    1.3331  108.33 -179.15  116.85   1.6060
IC C33   C31   *C32  H2X    1.6060  116.85 -121.70  105.08   1.1113
IC H2X   C31   *C32  H2Y    1.1113  105.08 -115.26  107.43   1.1071
IC C21   C22   C23   C24    1.5329  113.78  180.00  112.27   1.5435
IC C24   C22   *C23  H3R    1.5435  112.27 -122.24  109.63   1.1133
IC C24   C22   *C23  H3S    1.5435  112.27  120.06  108.89   1.1154
IC C22   C23   C24   C25    1.5483  112.27  180.00  115.67   1.5107
IC C25   C23   *C24  H4R    1.5107  115.67 -121.06  107.11   1.1144
IC C25   C23   *C24  H4S    1.5107  115.67  124.06  108.43   1.1128
IC C23   C24   C25   C26    1.5435  115.67  180.00  125.97   1.3453
IC C26   C24   *C25  H5R    1.3453  125.97 -176.85  115.39   1.1011
IC C24   C25   C26   C27    1.5107  125.97    0.00  125.28   1.5097 !cis db
IC C27   C25   *C26  H6R    1.5097  125.28  178.19  119.65   1.1004
IC C25   C26   C27   C28    1.3453  125.28  180.00  121.35   1.5192
IC C28   C26   *C27  H7R    1.5192  121.35 -124.15  108.68   1.1135
IC C28   C26   *C27  H7S    1.5192  121.35  123.34  106.97   1.1121
IC C26   C27   C28   C29    1.5097  121.35  180.00  132.80   1.3549
IC C29   C27   *C28  H8R    1.3549  132.80 -178.43  111.35   1.1010
IC C27   C28   C29   C210   1.5192  132.80    0.00  130.38   1.5115 !cis db
IC C210  C28   *C29  H9R    1.5115  130.38  178.53  117.07   1.1014
IC C28   C29   C210  C211   1.3549  130.38  180.00  111.80   1.5083
IC C211  C29   *C210 H10R   1.5192  121.35 -124.15  108.68   1.1135
IC C211  C29   *C210 H10S   1.5192  121.35  123.34  106.97   1.1128
IC C29   C210  C211  C212   1.5115  111.80  180.00  124.32   1.3436
IC C212  C210  *C211 H11R   1.3453  125.97 -176.85  115.39   1.1011
IC C210  C211  C212  C213   1.5083  124.32    0.00  125.45   1.5067 !cis db
IC C213  C211  *C212 H12R   1.5097  125.28  178.19  119.65   1.1004
IC C211  C212  C213  C214   1.3436  125.45  180.00  111.57   1.5090
IC C214  C212  *C213 H13R   1.5192  121.35 -124.15  108.68   1.1135
IC C214  C212  *C213 H13S   1.5192  121.35  123.34  106.97   1.1128
IC C212  C213  C214  C215   1.5067  111.57  180.00  126.10   1.3471
IC C215  C213  *C214 H14R   1.3453  125.97 -176.85  115.39   1.1011
IC C213  C214  C215  C216   1.5090  126.10    0.00  125.86   1.5091 !cis db
IC C216  C214  *C215 H15R   1.5097  125.28  178.19  119.65   1.1004
IC C214  C215  C216  C217   1.3471  125.86  180.00  113.25   1.5428
IC C217  C215  *C216 H16R   1.5192  121.35 -124.15  108.68   1.1135
IC C217  C215  *C216 H16S   1.5192  121.35  123.34  106.97   1.1128
IC C215  C216  C217  C218   1.5091  113.25  180.00  115.19   1.5395
IC C218  C216  *C217 H17R   1.5192  121.35 -124.15  108.68   1.1135
IC C218  C216  *C217 H17S   1.5192  121.35  123.34  106.97   1.1128
IC C216  C217  C218  C219   1.5428  115.19  180.00  113.95   1.5345
IC C219  C217  *C218 H18R   1.5192  121.35 -124.15  108.68   1.1135
IC C219  C217  *C218 H18S   1.5192  121.35  123.34  106.97   1.1128
IC C217  C218  C219  C220   1.5395  113.95  180.00  112.95   1.5309
IC C220  C218  *C219 H19R   1.5192  121.35 -124.15  108.68   1.1135
IC C220  C218  *C219 H19S   1.5192  121.35  123.34  106.97   1.1128
IC C218  C219  C220  H20T   1.5345  112.95  180.00  110.39   1.1115
IC H20T  C219  *C220 H20R   1.5192  121.35 -124.15  108.68   1.1135
IC H20T  C219  *C220 H20S   1.5192  121.35  123.34  106.97   1.1128
IC C31   C32   C33   C34    1.5405  116.85  180.00  126.13   1.5951
IC C34   C32   *C33  H3X    1.5410  113.36 -119.96  111.74   1.1148
IC C34   C32   *C33  H3Y    1.5192  121.35  123.34  106.97   1.1128  
IC C32   C33   C34   C35    1.6060  126.13  180.00  113.36   1.5410
IC C35   C33   *C34  H4X    1.5396  113.52 -123.43  110.53   1.1101
IC C35   C33   *C34  H4Y    1.5192  121.35  123.34  106.97   1.1128
IC C33   C34   C35   C36    1.5951  113.36  180.00  113.52   1.5396
IC C36   C34   *C35  H5X    1.5396  113.52 -123.43  110.53   1.1101
IC C36   C34   *C35  H5Y    1.5192  121.35  123.34  106.97   1.1128
IC C34   C35   C36   C37    1.5410  113.52  180.00  114.47   1.5397
IC C37   C35   *C36  H6X    1.5396  113.52 -123.43  110.53   1.1101
IC C37   C35   *C36  H6Y    1.5192  121.35  123.34  106.97   1.1128
IC C35   C36   C37   C38    1.5396  114.47  180.00  113.41   1.5386
IC C38   C36   *C37  H7X    1.5396  113.52 -123.43  110.53   1.1101
IC C38   C36   *C37  H7Y    1.5192  121.35  123.34  106.97   1.1128
IC C36   C37   C38   C39    1.5397  113.41  180.00  113.71   1.5382
IC C39   C37   *C38  H8X    1.5396  113.52 -123.43  110.53   1.1101
IC C39   C37   *C38  H8Y    1.5192  121.35  123.34  106.97   1.1128
IC C37   C38   C39   C310   1.5386  113.71  180.00  113.75   1.5392
IC C310  C38   *C39  H9X    1.5396  113.52 -123.43  110.53   1.1101
IC C310  C38   *C39  H9Y    1.5192  121.35  123.34  106.97   1.1128
IC C38   C39   C310  C311   1.5382  113.75  180.00  114.19   1.5353
IC C311  C39   *C310 H10X   1.5396  113.52 -123.43  110.53   1.1101
IC C311  C39   *C310 H10Y   1.5192  121.35  123.34  106.97   1.1128
IC C39   C310  C311  C312   1.5392  114.19  180.00  112.28   1.5347
IC C312  C310  *C311 H11X   1.5396  113.52 -123.43  110.53   1.1101
IC C312  C310  *C311 H11Y   1.5192  121.35  123.34  106.97   1.1128
IC C310  C311  C312  C313   1.5353  112.28  180.00  113.98   1.5367
IC C313  C311  *C312 H12X   1.5396  113.52 -123.43  110.53   1.1101
IC C313  C311  *C312 H12Y   1.5192  121.35  123.34  106.97   1.1128
IC C311  C312  C313  C314   1.5347  113.98  180.00  113.72   1.5377
IC C314  C312  *C313 H13X   1.5396  113.52 -123.43  110.53   1.1101
IC C314  C312  *C313 H13Y   1.5192  121.35  123.34  106.97   1.1128
IC C312  C313  C314  C315   1.5367  113.72  180.00  113.85   1.5357
IC C315  C313  *C314 H14X   1.5396  113.52 -123.43  110.53   1.1101
IC C315  C313  *C314 H14Y   1.5192  121.35  123.34  106.97   1.1128
IC C313  C314  C315  C316   1.5377  113.85  180.00  111.81   1.5374
IC C316  C314  *C315 H15X   1.5396  113.52 -123.43  110.53   1.1101
IC C316  C314  *C315 H15Y   1.5192  121.35  123.34  106.97   1.1128
IC C314  C315  C316  C317   1.5357  111.81  180.00  114.29   1.5985
IC C317  C315  *C316 H16X   1.5396  113.52 -123.43  110.53   1.1101
IC C317  C315  *C316 H16Y   1.5192  121.35  123.34  106.97   1.1128
IC C315  C316  C317  C318   1.5374  114.29  180.00  130.92   1.5745
IC C318  C316  *C317 H17X   1.5396  113.52 -123.43  110.53   1.1101
IC C318  C316  *C317 H17Y   1.5192  121.35  123.34  106.97   1.1128
IC C316  C317  C318  H18X   1.5985  130.92  180.00  110.90   1.1113
IC H18X  C317  *C318 H18Y   1.5396  113.52 -123.43  110.53   1.1101
IC H18X  C317  *C318 H18Z   1.5192  121.35  123.34  106.97   1.1128

RESI SDPC         0.00 ! 3-stearoyl-2-docosahexaenoyl-D-glycero-1-phosphatidylcholine
!
!        Stearoyl - CH2        
!                   |  
! Docosahexaenoyl - CH
!                   |     (-)              (+)
!                   CH2 - PO4 - CH2 - CH2 - N-(CH3)3
!
! Polar Head and glycerol backbone
!
GROUP                  !               H15B
ATOM N    NTL    -0.60 !                 |
ATOM C12  CTL2   -0.10 !           H15A-C15-H15C
ATOM H12A HL      0.25 !                 |
ATOM H12B HL      0.25 !         H13B    |    H14A
ATOM C13  CTL5   -0.35 !           |     |     |
ATOM H13A HL      0.25 !     H13A-C13----N----C14-H14B     (+)
ATOM H13B HL      0.25 !           |     |     |
ATOM H13C HL      0.25 !         H13C    |    H14C
ATOM C14  CTL5   -0.35 !                 |
ATOM H14A HL      0.25 !                 |
ATOM H14B HL      0.25 !                 |    alpha6
ATOM H14C HL      0.25 !                 |
ATOM C15  CTL5   -0.35 !                 |
ATOM H15A HL      0.25 !          H12A--C12---H12B
ATOM H15B HL      0.25 !                 |
ATOM H15C HL      0.25 !                 |
GROUP                  !                 |     alpha5
ATOM C11  CTL2   -0.08 !                 |
ATOM H11A HAL2    0.09 !          H11A--C11---H11B
ATOM H11B HAL2    0.09 !                 |     alpha4
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.78 !              \ /      alpha3
ATOM O14  O2L    -0.78 !               P (+)
ATOM O12  OSLP   -0.57 !              / \      alpha2
ATOM O11  OSLP   -0.57 !        (-) O14  O11
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              |
ATOM H3R  HAL2    0.09 !        H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C24  CEL1   -0.15 !               |              |
ATOM H4R  HEL1    0.15 !        H4R ---C24            |
GROUP                  !               |!  (CIS)      |
ATOM C25  CEL1   -0.15 !               |!             |
ATOM H5R  HEL1    0.15 !        H4R ---C25            |
GROUP                  !               |              |
ATOM C26  CTL2   -0.18 !               |              |
ATOM H6R  HAL2    0.09 !        H6R ---C26---H6S      |
ATOM H6S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C27  CEL1   -0.15 !               |              |
ATOM H7R  HEL1    0.15 !        H7R ---C27            |
GROUP                  !               |!  (CIS)      |
ATOM C28  CEL1   -0.15 !               |!             |
ATOM H8R  HEL1    0.15 !        H8R ---C28            |
GROUP                  !               |              |
ATOM C29  CTL2   -0.18 !               |              |
ATOM H9R  HAL2    0.09 !        H9R----C29---H9S      |
ATOM H9S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C210 CEL1   -0.15 !               |              |
ATOM H10R HEL1    0.15 !        H10R---C210           |
GROUP                  !               |!  (CIS)      |
ATOM C211 CEL1   -0.15 !               |!             |
ATOM H11R HEL1    0.15 !        H11R---C211           |
GROUP                  !               |              |
ATOM C212 CTL2   -0.18 !               |              |
ATOM H12R HAL2    0.09 !        H12R---C212--H12S     |
ATOM H12S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C213 CEL1   -0.15 !               |              |
ATOM H13R HEL1    0.15 !        H13R---C213           |
GROUP                  !               |!  (CIS)      |
ATOM C214 CEL1   -0.15 !               |!             |
ATOM H14R HEL1    0.15 !        H14R---C214           |
GROUP                  !               |              |
ATOM C215 CTL2   -0.18 !               |              |
ATOM H15R HAL2    0.09 !        H15R---C215--H15S     |
ATOM H15S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C216 CEL1   -0.15 !               |              |
ATOM H16R HEL1    0.15 !        H16R---C216           |
GROUP                  !               |!  (CIS)      |
ATOM C217 CEL1   -0.15 !               |!             |
ATOM H17R HEL1    0.15 !        H17R---C217           |
GROUP                  !               |              |
ATOM C218 CTL2   -0.18 !               |              |
ATOM H18R HAL2    0.09 !        H18R---C218--H18S     |
ATOM H18S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C219 CEL1   -0.15 !               |              |
ATOM H19R HEL1    0.15 !        H19R---C219           |
GROUP                  !               |!  (CIS)      |
ATOM C220 CEL1   -0.15 !               |!             |
ATOM H20R HEL1    0.15 !        H20R---C220           |
GROUP                  !               |              |
ATOM C221 CTL2   -0.18 !               |              |
ATOM H21R HAL2    0.09 !        H21R---C221--H21S     |
ATOM H21S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C222 CTL3   -0.27 !               |              |
ATOM H22R HAL3    0.09 !        H22R---C222--H22S     |
ATOM H22S HAL3    0.09 !               |              |
ATOM H22T HAL3    0.09 !              H22T            |
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |
ATOM H3X  HAL2    0.09 !                       H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C34  CTL2   -0.18 !                              |
ATOM H4X  HAL2    0.09 !                       H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C35  CTL2   -0.18 !                              |
ATOM H5X  HAL2    0.09 !                       H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C36  CTL2   -0.18 !                              |
ATOM H6X  HAL2    0.09 !                       H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C37  CTL2   -0.18 !                              |
ATOM H7X  HAL2    0.09 !                       H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C38  CTL2   -0.18 !                              |
ATOM H8X  HAL2    0.09 !                       H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C39  CTL2   -0.18 !                              |
ATOM H9X  HAL2    0.09 !                       H9X ---C39---H9Y
ATOM H9Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C310 CTL2   -0.18 !                              |
ATOM H10X HAL2    0.09 !                       H10X---C310--H10Y
ATOM H10Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C311 CTL2   -0.18 !                              |
ATOM H11X HAL2    0.09 !                       H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C312 CTL2   -0.18 !                              |
ATOM H12X HAL2    0.09 !                       H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C313 CTL2   -0.18 !                              |
ATOM H13X HAL2    0.09 !                       H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C314 CTL2   -0.18 !                              |
ATOM H14X HAL2    0.09 !                       H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C315 CTL2   -0.18 !                              |
ATOM H15X HAL2    0.09 !                       H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C316 CTL2   -0.18 !                              |
ATOM H16X HAL2    0.09 !                       H16X---C316--H16Y
ATOM H16Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C317 CTL2   -0.18 !                              |
ATOM H17X HAL2    0.09 !                       H17X---C317--H17Y
ATOM H17Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C318 CTL3   -0.27 !                              |
ATOM H18X HAL3    0.09 !                       H18X---C318--H18Y
ATOM H18Y HAL3    0.09 !                              |
ATOM H18Z HAL3    0.09 !                              H18Z
 
! Polar Head
BOND  N    C13       N    C14       N    C15
BOND  C13  H13A      C13  H13B      C13  H13C
BOND  C14  H14A      C14  H14B      C14  H14C
BOND  C15  H15A      C15  H15B      C15  H15C
BOND  N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R
DOUBLE  C24 C25
BOND  C25  H5R       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R
DOUBLE  C27 C28
BOND  C28  H8R       C28  C29
BOND  C29  H9R       C29  H9S       C29  C210
BOND  C210 H10R
DOUBLE  C210 C211
BOND  C211 H11R      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R
DOUBLE  C213 C214
BOND  C214 H14R      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R
DOUBLE  C216 C217
BOND  C217 H17R      C217 C218
BOND  C218 H18R      C218 H18S      C218 C219
BOND  C219 H19R
DOUBLE  C219 C220
BOND  C220 H20R      C220 C221
BOND  C221 H21R      C221 H21S      C221 C222
BOND  C222 H22R      C222 H22S      C222 H22T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z
IMPR C21 O21 C22 O22    C31 O31 C32 O32
!IC table from IC generate, geometry is guessed
IC C13   N     C12   C11    1.5025  109.38  -75.54  119.27   1.5529
IC C13   C12   *N    C14    1.5025  109.38  118.57  109.88   1.5014
IC C13   C12   *N    C15    1.5025  109.38 -120.06  111.03   1.4969
IC C11   N     *C12  H12A   1.5529  119.27 -122.46  108.90   1.0813
IC C11   N     *C12  H12B   1.5529  119.27  122.46  108.90   1.0813
IC C14   N     C13   H13A   1.5014  108.14   54.63  112.42   1.0793
IC H13A  N     *C13  H13B   1.0793  112.42  124.95  112.66   1.0787
IC H13A  N     *C13  H13C   1.0793  112.42 -117.33  109.87   1.0973
IC C13   N     C14   H14A   1.5025  108.14  179.71  112.53   1.0782
IC H14A  N     *C14  H14B   1.0782  112.53 -117.73  109.58   1.0984
IC H14A  N     *C14  H14C   1.0782  112.53  124.81  112.18   1.0792
IC C13   N     C15   H15A   1.5025  108.78   58.26  110.07   1.0842
IC H15A  N     *C15  H15B   1.0842  110.07  119.38  111.02   1.0824
IC H15A  N     *C15  H15C   1.0842  110.07 -119.39  110.90   1.0828
IC N     C12   C11   O12    1.5261  119.27   61.50  111.44   1.4207
IC O12   C12   *C11  H11A   1.4207  111.44 -127.11  110.31   1.1153
IC O12   C12   *C11  H11B   1.5529  119.27  122.46  108.90   1.0813
IC C12   C11   O12   P      1.5529  111.44 -110.28  123.53   1.5856
IC C11   O12   P     O11    1.4207  123.53 -117.07  102.54   1.5781
IC O11   O12   *P    O13    1.5781  102.54 -116.75  105.99   1.4757
IC O11   O12   *P    O14    1.5781  102.54  117.14  108.09   1.4794
IC O12   P     O11   C1     1.5856  102.54   47.49  122.31   1.4299
IC P     O11   C1    C2     1.5781  122.31 -121.63  111.37   1.5551
IC C2    O11   *C1   HA     1.5551  111.37 -121.22  112.98   1.1162
IC C2    O11   *C1   HB     1.5529  119.27  122.46  108.90   1.0813
IC O11   C1    C2    O21    1.4299  111.37  167.62  109.06   1.4416
IC O21   C1    *C2   C3     1.4416  109.06 -120.10  112.09   1.5542
IC C3    C1    *C2   HS     1.5542  112.09 -117.49  108.37   1.1164
IC C1    C2    O21   C21    1.5551  109.06   75.28  114.44   1.3230
IC C2    O21   C21   C22    1.4416  114.44 -169.77  110.64   1.5347
IC C22   O21   *C21  O22    1.5347  110.64  178.85  126.03   1.2164
IC O21   C21   C22   C23    1.3230  110.64    8.34  115.21   1.5530
IC C23   C21   *C22  H2R    1.5530  115.21 -122.63  106.55   1.1097
IC C23   C21   *C22  H2S    1.5529  119.27  122.46  108.90   1.0813
IC C1    C2    C3    O31    1.5551  112.09 -164.18  111.18   1.4463
IC O31   C2    *C3   HX     1.4463  111.18 -123.28  107.24   1.1146
IC O31   C2    *C3   HY     1.5529  119.27  122.46  108.90   1.0813
IC C2    C3    O31   C31    1.5542  111.18 -171.35  113.07   1.3278
IC C3    O31   C31   C32    1.4463  113.07 -168.42  109.99   1.5299
IC C32   O31   *C31  O32    1.5299  109.99  176.32  125.54   1.2191
IC O31   C31   C32   C33    1.3278  109.99 -122.12  112.51   1.5448
IC C33   C31   *C32  H2X    1.5448  112.51 -119.13  105.91   1.1108
IC C33   C31   *C32  H2Y    1.5192  121.35  123.34  106.97   1.1128
IC C21   C22   C23   C24    1.5347  115.21  180.00  110.44   1.5096
IC C24   C22   *C23  H3R    1.5396  113.52 -123.43  110.53   1.1101
IC C24   C22   *C23  H3S    1.5192  121.35  123.34  106.97   1.1128
IC C22   C23   C24   C25    1.5530  110.44  180.00  127.08   1.3487
IC C25   C23   *C24  H4R    1.3487  127.08  180.00  114.44   1.1010
IC C23   C24   C25   C26    1.5096  127.08    0.00  127.17   1.5116 !cis db
IC C26   C24   *C25  H5R    1.5116  127.17  179.68  118.27   1.1015
IC C24   C25   C26   C27    1.3487  127.17  180.00  111.97   1.5099
IC C27   C25   *C26  H6R    1.5396  113.52 -123.43  110.53   1.1101
IC C27   C25   *C26  H6S    1.5192  121.35  123.34  106.97   1.1128
IC C25   C26   C27   C28    1.5116  111.97  180.00  126.68   1.3492
IC C28   C26   *C27  H7R    1.3492  126.68  178.47  114.82   1.1014
IC C26   C27   C28   C29    1.5099  126.68    0.00  126.94   1.5099 !cis db
IC C29   C27   *C28  H8R    1.5099  126.94 -177.42  118.69   1.1018
IC C27   C28   C29   C210   1.3492  126.94  180.00  111.95   1.5084
IC C210  C28   *C29  H9R    1.5396  113.52 -123.43  110.53   1.1101
IC C210  C28   *C29  H9S    1.5192  121.35  123.34  106.97   1.1128
IC C28   C29   C210  C211   1.5099  111.95  180.00  126.47   1.3485
IC C211  C29   *C210 H10R   1.3453  125.97 -176.85  115.39   1.1011
IC C29   C210  C211  C212   1.5084  126.47    0.00  127.07   1.5122 !cis db
IC C212  C210  *C211 H11R   1.5097  125.28  178.19  119.65   1.1004
IC C210  C211  C212  C213   1.3485  127.07  180.00  112.04   1.5115
IC C213  C211  *C212 H12R   1.5396  113.52 -123.43  110.53   1.1101
IC C213  C211  *C212 H12S   1.5192  121.35  123.34  106.97   1.1128
IC C211  C212  C213  C214   1.5122  112.04  180.00  126.62   1.3479
IC C214  C212  *C213 H13R   1.3453  125.97 -176.85  115.39   1.1011
IC C212  C213  C214  C215   1.5115  126.62    0.00  127.02   1.5107 !cis db
IC C215  C213  *C214 H14R   1.5097  125.28  178.19  119.65   1.1004
IC C213  C214  C215  C216   1.3479  127.02  180.00  112.92   1.5093
IC C216  C214  *C215 H15R   1.5396  113.52 -123.43  110.53   1.1101
IC C216  C214  *C215 H15S   1.5192  121.35  123.34  106.97   1.1128
IC C214  C215  C216  C217   1.5107  112.92  180.00  124.28   1.3467
IC C217  C215  *C216 H16R   1.3453  125.97 -176.85  115.39   1.1011
IC C215  C216  C217  C218   1.5093  124.28    0.00  126.43   1.5125 !cis db
IC C218  C216  *C217 H17R   1.5097  125.28  178.19  119.65   1.1004
IC C216  C217  C218  C219   1.3467  126.43  180.00  116.29   1.5121
IC C219  C217  *C218 H18R   1.5396  113.52 -123.43  110.53   1.1101
IC C219  C217  *C218 H18S   1.5192  121.35  123.34  106.97   1.1128
IC C217  C218  C219  C220   1.5125  116.29  180.00  124.57   1.3458
IC C220  C218  *C219 H19R   1.3453  125.97 -176.85  115.39   1.1011
IC C218  C219  C220  C221   1.5121  124.57    0.00  126.91   1.5106 !cis db
IC C221  C219  *C220 H20R   1.5097  125.28  178.19  119.65   1.1004
IC C219  C220  C221  C222   1.3458  126.91    0.74  115.89   1.5382
IC C222  C220  *C221 H21R   1.5396  113.52 -123.43  110.53   1.1101
IC C222  C220  *C221 H21S   1.5192  121.35  123.34  106.97   1.1128
IC C220  C221  C222  H22R   1.5106  115.89  -60.86  110.71   1.1115
IC H22R  C221  *C222 H22S   1.5396  113.52 -123.43  110.53   1.1101
IC H22R  C221  *C222 H22T   1.5192  121.35  123.34  106.97   1.1128
IC C31   C32   C33   C34    1.5405  116.85  180.00  126.13   1.5951
IC C34   C32   *C33  H3X    1.5410  113.36 -119.96  111.74   1.1148
IC C34   C32   *C33  H3Y    1.5192  121.35  123.34  106.97   1.1128  
IC C32   C33   C34   C35    1.6060  126.13  180.00  113.36   1.5410
IC C35   C33   *C34  H4X    1.5396  113.52 -123.43  110.53   1.1101
IC C35   C33   *C34  H4Y    1.5192  121.35  123.34  106.97   1.1128
IC C33   C34   C35   C36    1.5951  113.36  180.00  113.52   1.5396
IC C36   C34   *C35  H5X    1.5396  113.52 -123.43  110.53   1.1101
IC C36   C34   *C35  H5Y    1.5192  121.35  123.34  106.97   1.1128
IC C34   C35   C36   C37    1.5410  113.52  180.00  114.47   1.5397
IC C37   C35   *C36  H6X    1.5396  113.52 -123.43  110.53   1.1101
IC C37   C35   *C36  H6Y    1.5192  121.35  123.34  106.97   1.1128
IC C35   C36   C37   C38    1.5396  114.47  180.00  113.41   1.5386
IC C38   C36   *C37  H7X    1.5396  113.52 -123.43  110.53   1.1101
IC C38   C36   *C37  H7Y    1.5192  121.35  123.34  106.97   1.1128
IC C36   C37   C38   C39    1.5397  113.41  180.00  113.71   1.5382
IC C39   C37   *C38  H8X    1.5396  113.52 -123.43  110.53   1.1101
IC C39   C37   *C38  H8Y    1.5192  121.35  123.34  106.97   1.1128
IC C37   C38   C39   C310   1.5386  113.71  180.00  113.75   1.5392
IC C310  C38   *C39  H9X    1.5396  113.52 -123.43  110.53   1.1101
IC C310  C38   *C39  H9Y    1.5192  121.35  123.34  106.97   1.1128
IC C38   C39   C310  C311   1.5382  113.75  180.00  114.19   1.5353
IC C311  C39   *C310 H10X   1.5396  113.52 -123.43  110.53   1.1101
IC C311  C39   *C310 H10Y   1.5192  121.35  123.34  106.97   1.1128
IC C39   C310  C311  C312   1.5392  114.19  180.00  112.28   1.5347
IC C312  C310  *C311 H11X   1.5396  113.52 -123.43  110.53   1.1101
IC C312  C310  *C311 H11Y   1.5192  121.35  123.34  106.97   1.1128
IC C310  C311  C312  C313   1.5353  112.28  180.00  113.98   1.5367
IC C313  C311  *C312 H12X   1.5396  113.52 -123.43  110.53   1.1101
IC C313  C311  *C312 H12Y   1.5192  121.35  123.34  106.97   1.1128
IC C311  C312  C313  C314   1.5347  113.98  180.00  113.72   1.5377
IC C314  C312  *C313 H13X   1.5396  113.52 -123.43  110.53   1.1101
IC C314  C312  *C313 H13Y   1.5192  121.35  123.34  106.97   1.1128
IC C312  C313  C314  C315   1.5367  113.72  180.00  113.85   1.5357
IC C315  C313  *C314 H14X   1.5396  113.52 -123.43  110.53   1.1101
IC C315  C313  *C314 H14Y   1.5192  121.35  123.34  106.97   1.1128
IC C313  C314  C315  C316   1.5377  113.85  180.00  111.81   1.5374
IC C316  C314  *C315 H15X   1.5396  113.52 -123.43  110.53   1.1101
IC C316  C314  *C315 H15Y   1.5192  121.35  123.34  106.97   1.1128
IC C314  C315  C316  C317   1.5357  111.81  180.00  114.29   1.5985
IC C317  C315  *C316 H16X   1.5396  113.52 -123.43  110.53   1.1101
IC C317  C315  *C316 H16Y   1.5192  121.35  123.34  106.97   1.1128
IC C315  C316  C317  C318   1.5374  114.29  180.00  130.92   1.5745
IC C318  C316  *C317 H17X   1.5396  113.52 -123.43  110.53   1.1101
IC C318  C316  *C317 H17Y   1.5192  121.35  123.34  106.97   1.1128
IC C316  C317  C318  H18X   1.5985  130.92  180.00  110.90   1.1113
IC H18X  C317  *C318 H18Y   1.5396  113.52 -123.43  110.53   1.1101
IC H18X  C317  *C318 H18Z   1.5192  121.35  123.34  106.97   1.1128

RESI SOPC         0.00 ! 3-stearoyl-2-oleoyl-D-glycero-1-phosphatidylcholine
!
!   Stearoyl - CH2        
!              |  
!     Oleoyl - CH
!              |     (-)              (+)
!              CH2 - PO4 - CH2 - CH2 - N-(CH3)3
!
! Polar Head and glycerol backbone
!
GROUP                  !               H15B
ATOM N    NTL    -0.60 !                 |
ATOM C12  CTL2   -0.10 !           H15A-C15-H15C
ATOM H12A HL      0.25 !                 |
ATOM H12B HL      0.25 !         H13B    |    H14A
ATOM C13  CTL5   -0.35 !           |     |     |
ATOM H13A HL      0.25 !     H13A-C13----N----C14-H14B     (+)
ATOM H13B HL      0.25 !           |     |     |
ATOM H13C HL      0.25 !         H13C    |    H14C
ATOM C14  CTL5   -0.35 !                 |
ATOM H14A HL      0.25 !                 |
ATOM H14B HL      0.25 !                 |    alpha6
ATOM H14C HL      0.25 !                 |
ATOM C15  CTL5   -0.35 !                 |
ATOM H15A HL      0.25 !          H12A--C12---H12B
ATOM H15B HL      0.25 !                 |
ATOM H15C HL      0.25 !                 |
GROUP                  !                 |     alpha5
ATOM C11  CTL2   -0.08 !                 |
ATOM H11A HAL2    0.09 !          H11A--C11---H11B
ATOM H11B HAL2    0.09 !                 |     alpha4
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.78 !              \ /      alpha3
ATOM O14  O2L    -0.78 !               P (+)
ATOM O12  OSLP   -0.57 !              / \      alpha2
ATOM O11  OSLP   -0.57 !        (-) O14  O11
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              |
ATOM H3R  HAL2    0.09 !        H3R ---C23---H3S      |
ATOM H3S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C24  CTL2   -0.18 !               |              |
ATOM H4R  HAL2    0.09 !        H4R ---C24---H4S      |
ATOM H4S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C25  CTL2   -0.18 !               |              |
ATOM H5R  HAL2    0.09 !        H5R ---C25---H5S      |
ATOM H5S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C26  CTL2   -0.18 !               |              |
ATOM H6R  HAL2    0.09 !        H6R ---C26---H6S      |
ATOM H6S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C27  CTL2   -0.18 !               |              |
ATOM H7R  HAL2    0.09 !        H7R ---C27---H7S      |
ATOM H7S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C28  CTL2   -0.18 !               |              |
ATOM H8R  HAL2    0.09 !        H8R ---C28---H8S      |
ATOM H8S  HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C29  CEL1   -0.15 !               |              |
ATOM H91  HEL1    0.15 !        H91 ---C29            |
GROUP                  !               ||  (CIS)      |
ATOM C210 CEL1   -0.15 !               ||             |
ATOM H101 HEL1    0.15 !        H101---C210           |
GROUP                  !               |              |
ATOM C211 CTL2   -0.18 !               |              |
ATOM H11R HAL2    0.09 !        H11R---C211--H11S     |
ATOM H11S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C212 CTL2   -0.18 !               |              |
ATOM H12R HAL2    0.09 !        H12R---C212--H12S     |
ATOM H12S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C213 CTL2   -0.18 !               |              |
ATOM H13R HAL2    0.09 !        H13R---C213--H13S     |
ATOM H13S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C214 CTL2   -0.18 !               |              |
ATOM H14R HAL2    0.09 !        H14R---C214--H14S     |
ATOM H14S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C215 CTL2   -0.18 !               |              |
ATOM H15R HAL2    0.09 !        H15R---C215--H15S     |
ATOM H15S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C216 CTL2   -0.18 !               |              |
ATOM H16R HAL2    0.09 !        H16R---C216--H16S     |
ATOM H16S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C217 CTL2   -0.18 !               |              |
ATOM H17R HAL2    0.09 !        H17R---C217--H17S     |
ATOM H17S HAL2    0.09 !               |              |
GROUP                  !               |              |
ATOM C218 CTL3   -0.27 !               |              |
ATOM H18R HAL3    0.09 !        H18R---C218--H18S     |
ATOM H18S HAL3    0.09 !               |              |
ATOM H18T HAL3    0.09 !              H18T            |
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |
ATOM H3X  HAL2    0.09 !                       H3X ---C33---H3Y
ATOM H3Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C34  CTL2   -0.18 !                              |
ATOM H4X  HAL2    0.09 !                       H4X ---C34---H4Y
ATOM H4Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C35  CTL2   -0.18 !                              |
ATOM H5X  HAL2    0.09 !                       H5X ---C35---H5Y
ATOM H5Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C36  CTL2   -0.18 !                              |
ATOM H6X  HAL2    0.09 !                       H6X ---C36---H6Y
ATOM H6Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C37  CTL2   -0.18 !                              |
ATOM H7X  HAL2    0.09 !                       H7X ---C37---H7Y
ATOM H7Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C38  CTL2   -0.18 !                              |
ATOM H8X  HAL2    0.09 !                       H8X ---C38---H8Y
ATOM H8Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C39  CTL2   -0.18 !                              |
ATOM H9X  HAL2    0.09 !                       H9X ---C39---H9Y
ATOM H9Y  HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C310 CTL2   -0.18 !                              |
ATOM H10X HAL2    0.09 !                       H10X---C310--H10Y
ATOM H10Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C311 CTL2   -0.18 !                              |
ATOM H11X HAL2    0.09 !                       H11X---C311--H11Y
ATOM H11Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C312 CTL2   -0.18 !                              |
ATOM H12X HAL2    0.09 !                       H12X---C312--H12Y
ATOM H12Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C313 CTL2   -0.18 !                              |
ATOM H13X HAL2    0.09 !                       H13X---C313--H13Y
ATOM H13Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C314 CTL2   -0.18 !                              |
ATOM H14X HAL2    0.09 !                       H14X---C314--H14Y
ATOM H14Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C315 CTL2   -0.18 !                              |
ATOM H15X HAL2    0.09 !                       H15X---C315--H15Y
ATOM H15Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C316 CTL2   -0.18 !                              |
ATOM H16X HAL2    0.09 !                       H16X---C316--H16Y
ATOM H16Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C317 CTL2   -0.18 !                              |
ATOM H17X HAL2    0.09 !                       H17X---C317--H17Y
ATOM H17Y HAL2    0.09 !                              |
GROUP                  !                              |
ATOM C318 CTL3   -0.27 !                              |
ATOM H18X HAL3    0.09 !                       H18X---C318--H18Y
ATOM H18Y HAL3    0.09 !                              |
ATOM H18Z HAL3    0.09 !                              H18Z
 
! Polar Head
BOND  N    C13       N    C14       N    C15
BOND  C13  H13A      C13  H13B      C13  H13C
BOND  C14  H14A      C14  H14B      C14  H14C
BOND  C15  H15A      C15  H15B      C15  H15C
BOND  N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  O21  C21
BOND  C21  C22
DOUBLE  C21  O22
BOND  C22  H2R       C22  H2S       C22  C23
BOND  C23  H3R       C23  H3S       C23  C24
BOND  C24  H4R       C24  H4S       C24  C25
BOND  C25  H5R       C25  H5S       C25  C26
BOND  C26  H6R       C26  H6S       C26  C27
BOND  C27  H7R       C27  H7S       C27  C28
BOND  C28  H8R       C28  H8S       C28  C29
BOND  C29  H91       
DOUBLE  C29 C210
BOND  C210 H101      C210 C211
BOND  C211 H11R      C211 H11S      C211 C212
BOND  C212 H12R      C212 H12S      C212 C213
BOND  C213 H13R      C213 H13S      C213 C214
BOND  C214 H14R      C214 H14S      C214 C215
BOND  C215 H15R      C215 H15S      C215 C216
BOND  C216 H16R      C216 H16S      C216 C217
BOND  C217 H17R      C217 H17S      C217 C218
BOND  C218 H18R      C218 H18S      C218 H18T
! Chain From C3
BOND  O31  C31
BOND  C31  C32
DOUBLE  C31  O32
BOND  C32  H2X       C32  H2Y       C32  C33
BOND  C33  H3X       C33  H3Y       C33  C34
BOND  C34  H4X       C34  H4Y       C34  C35
BOND  C35  H5X       C35  H5Y       C35  C36
BOND  C36  H6X       C36  H6Y       C36  C37
BOND  C37  H7X       C37  H7Y       C37  C38
BOND  C38  H8X       C38  H8Y       C38  C39
BOND  C39  H9X       C39  H9Y       C39  C310
BOND  C310 H10X      C310 H10Y      C310 C311
BOND  C311 H11X      C311 H11Y      C311 C312
BOND  C312 H12X      C312 H12Y      C312 C313
BOND  C313 H13X      C313 H13Y      C313 C314
BOND  C314 H14X      C314 H14Y      C314 C315
BOND  C315 H15X      C315 H15Y      C315 C316
BOND  C316 H16X      C316 H16Y      C316 C317
BOND  C317 H17X      C317 H17Y      C317 C318
BOND  C318 H18X      C318 H18Y      C318 H18Z
IMPR C21 O21 C22 O22    C31 O31 C32 O32
!IC table from IC generate, geometry is guessed
IC C13   N     C12   C11    1.5025  109.38  -75.54  119.27   1.5529
IC C13   C12   *N    C14    1.5025  109.38  118.57  109.88   1.5014
IC C13   C12   *N    C15    1.5025  109.38 -120.06  111.03   1.4969
IC C11   N     *C12  H12A   1.5529  119.27 -122.46  108.90   1.0813
IC C11   N     *C12  H12B   1.5529  119.27  122.46  108.90   1.0813
IC C14   N     C13   H13A   1.5014  108.14   54.63  112.42   1.0793
IC H13A  N     *C13  H13B   1.0793  112.42  124.95  112.66   1.0787
IC H13A  N     *C13  H13C   1.0793  112.42 -117.33  109.87   1.0973
IC C13   N     C14   H14A   1.5025  108.14  179.71  112.53   1.0782
IC H14A  N     *C14  H14B   1.0782  112.53 -117.73  109.58   1.0984
IC H14A  N     *C14  H14C   1.0782  112.53  124.81  112.18   1.0792
IC C13   N     C15   H15A   1.5025  108.78   58.26  110.07   1.0842
IC H15A  N     *C15  H15B   1.0842  110.07  119.38  111.02   1.0824
IC H15A  N     *C15  H15C   1.0842  110.07 -119.39  110.90   1.0828
IC N     C12   C11   O12    1.5261  119.27   61.50  111.44   1.4207
IC O12   C12   *C11  H11A   1.4207  111.44 -127.11  110.31   1.1153
IC O12   C12   *C11  H11B   1.5529  119.27  122.46  108.90   1.0813
IC C12   C11   O12   P      1.5529  111.44 -110.28  123.53   1.5856
IC C11   O12   P     O11    1.4207  123.53 -117.07  102.54   1.5781
IC O11   O12   *P    O13    1.5781  102.54 -116.75  105.99   1.4757
IC O11   O12   *P    O14    1.5781  102.54  117.14  108.09   1.4794
IC O12   P     O11   C1     1.5856  102.54   47.49  122.31   1.4299
IC P     O11   C1    C2     1.5781  122.31 -121.63  111.37   1.5551
IC C2    O11   *C1   HA     1.5551  111.37 -121.22  112.98   1.1162
IC C2    O11   *C1   HB     1.5529  119.27  122.46  108.90   1.0813
IC O11   C1    C2    O21    1.4299  111.37  167.62  109.06   1.4416
IC O21   C1    *C2   C3     1.4416  109.06 -120.10  112.09   1.5542
IC C3    C1    *C2   HS     1.5542  112.09 -117.49  108.37   1.1164
IC C1    C2    O21   C21    1.5551  109.06   75.28  114.44   1.3230
IC C2    O21   C21   C22    1.4416  114.44 -169.77  110.64   1.5347
IC C22   O21   *C21  O22    1.5347  110.64  178.85  126.03   1.2164
IC O21   C21   C22   C23    1.3230  110.64    8.34  115.21   1.5530
IC C23   C21   *C22  H2R    1.5530  115.21 -122.63  106.55   1.1097
IC C23   C21   *C22  H2S    1.5529  119.27  122.46  108.90   1.0813
IC C1    C2    C3    O31    1.5551  112.09 -164.18  111.18   1.4463
IC O31   C2    *C3   HX     1.4463  111.18 -123.28  107.24   1.1146
IC O31   C2    *C3   HY     1.5529  119.27  122.46  108.90   1.0813
IC C2    C3    O31   C31    1.5542  111.18 -171.35  113.07   1.3278
IC C3    O31   C31   C32    1.4463  113.07 -168.42  109.99   1.5299
IC C32   O31   *C31  O32    1.5299  109.99  176.32  125.54   1.2191
IC O31   C31   C32   C33    1.3278  109.99 -122.12  112.51   1.5448
IC C33   C31   *C32  H2X    1.5448  112.51 -119.13  105.91   1.1108
IC C33   C31   *C32  H2Y    1.5192  121.35  123.34  106.97   1.1128
IC C21   C22   C23   C24    1.5285  113.04  -70.28  113.21   1.5360
IC C24   C22   *C23  H3R    1.5360  113.21 -119.83  108.42   1.1148
IC C24   C22   *C23  H3S    1.5396  113.52 -123.43  110.53   1.1101
IC C22   C23   C24   C25    1.5450  113.21 -172.34  113.68   1.5399
IC C25   C23   *C24  H4R    1.5399  113.68  120.91  108.91   1.1136
IC C25   C23   *C24  H4S    1.5396  113.52 -123.43  110.53   1.1101
IC C23   C24   C25   C26    1.5360  113.68  -56.95  113.57   1.5353
IC C26   C24   *C25  H5R    1.5353  113.57  121.41  108.70   1.1129
IC C26   C24   *C25  H5S    1.5396  113.52 -123.43  110.53   1.1101
IC C24   C25   C26   C27    1.5399  113.57 -173.39  113.79   1.5375
IC C27   C25   *C26  H6R    1.5375  113.79  122.09  109.21   1.1127
IC C27   C25   *C26  H6S    1.5396  113.52 -123.43  110.53   1.1101
IC C25   C26   C27   C28    1.5353  113.79  177.45  113.35   1.5458
IC C28   C26   *C27  H7R    1.5458  113.35  119.87  108.07   1.1139
IC C28   C26   *C27  H7S    1.5396  113.52 -123.43  110.53   1.1101
IC C26   C27   C28   C29    1.5375  113.35   67.78  114.46   1.5115
IC C29   C27   *C28  H8R    1.5115  114.46  121.34  107.89   1.1131
IC C29   C27   *C28  H8S    1.5396  113.52 -123.43  110.53   1.1101
IC C27   C28   C29   C210   1.5458  114.46  180.00  126.91   1.3502
IC C210  C28   *C29  H91    1.3502  126.91 -178.81  114.69   1.1010
IC C28   C29   C210  C211   1.5115  126.91    0.00  126.69   1.5092 !cis db
IC C211  C29   *C210 H101   1.5099  126.94 -177.42  118.69   1.1018
IC C29   C210  C211  C212   1.3502  126.69  180.00  111.86   1.5417
IC C212  C210  *C211 H11R   1.5396  113.52 -123.43  110.53   1.1101
IC C212  C210  *C211 H11S   1.5097  125.28  121.00  119.65   1.1004
IC C210  C211  C212  C213   1.5092  111.86  180.00  113.99   1.5334
IC C213  C211  *C212 H12R   1.5396  113.52 -123.43  110.53   1.1101
IC C213  C211  *C212 H12S   1.5097  125.28  121.00  119.65   1.1004
IC C211  C212  C213  C214   1.5417  113.99  180.00  111.46   1.5365
IC C214  C212  *C213 H13R   1.5396  113.52 -123.43  110.53   1.1101
IC C214  C212  *C213 H13S   1.5097  125.28  121.00  119.65   1.1004
IC C212  C213  C214  C215   1.5334  111.46  180.00  114.22   1.5376
IC C215  C213  *C214 H14R   1.5396  113.52 -123.43  110.53   1.1101
IC C215  C213  *C214 H14S   1.5097  125.28  121.00  119.65   1.1004
IC C213  C214  C215  C216   1.5365  114.22  180.00  114.97   1.5385
IC C216  C214  *C215 H15R   1.5396  113.52 -123.43  110.53   1.1101
IC C216  C214  *C215 H15S   1.5097  125.28  121.00  119.65   1.1004
IC C214  C215  C216  C217   1.5376  114.97  180.00  113.95   1.5347
IC C217  C215  *C216 H16R   1.5396  113.52 -123.43  110.53   1.1101
IC C217  C215  *C216 H16S   1.5097  125.28  121.00  119.65   1.1004
IC C215  C216  C217  C218   1.5385  113.95  180.00  113.05   1.5311
IC C218  C216  *C217 H17R   1.5396  113.52 -123.43  110.53   1.1101
IC C218  C216  *C217 H17S   1.5097  125.28  121.00  119.65   1.1004
IC C216  C217  C218  H18R   1.5347  113.05  180.00  110.58   1.1110
IC H18R  C217  *C218 H18S   1.5396  113.52 -123.43  110.53   1.1101
IC H18R  C217  *C218 H18T   1.5097  125.28  121.00  119.65   1.1004
IC C31   C32   C33   C34    1.5405  116.85  180.00  126.13   1.5951
IC C34   C32   *C33  H3X    1.5410  113.36 -119.96  111.74   1.1148
IC C34   C32   *C33  H3Y    1.5192  121.35  121.00  106.97   1.1128  
IC C32   C33   C34   C35    1.6060  126.13  180.00  113.36   1.5410
IC C35   C33   *C34  H4X    1.5396  113.52 -123.43  110.53   1.1101
IC C35   C33   *C34  H4Y    1.5192  121.35  121.00  106.97   1.1128
IC C33   C34   C35   C36    1.5951  113.36  180.00  113.52   1.5396
IC C36   C34   *C35  H5X    1.5396  113.52 -123.43  110.53   1.1101
IC C36   C34   *C35  H5Y    1.5192  121.35  123.34  106.97   1.1128
IC C34   C35   C36   C37    1.5410  113.52  180.00  114.47   1.5397
IC C37   C35   *C36  H6X    1.5396  113.52 -123.43  110.53   1.1101
IC C37   C35   *C36  H6Y    1.5192  121.35  123.34  106.97   1.1128
IC C35   C36   C37   C38    1.5396  114.47  180.00  113.41   1.5386
IC C38   C36   *C37  H7X    1.5396  113.52 -123.43  110.53   1.1101
IC C38   C36   *C37  H7Y    1.5192  121.35  123.34  106.97   1.1128
IC C36   C37   C38   C39    1.5397  113.41  180.00  113.71   1.5382
IC C39   C37   *C38  H8X    1.5396  113.52 -123.43  110.53   1.1101
IC C39   C37   *C38  H8Y    1.5192  121.35  123.34  106.97   1.1128
IC C37   C38   C39   C310   1.5386  113.71  180.00  113.75   1.5392
IC C310  C38   *C39  H9X    1.5396  113.52 -123.43  110.53   1.1101
IC C310  C38   *C39  H9Y    1.5192  121.35  123.34  106.97   1.1128
IC C38   C39   C310  C311   1.5382  113.75  180.00  114.19   1.5353
IC C311  C39   *C310 H10X   1.5396  113.52 -123.43  110.53   1.1101
IC C311  C39   *C310 H10Y   1.5192  121.35  123.34  106.97   1.1128
IC C39   C310  C311  C312   1.5392  114.19  180.00  112.28   1.5347
IC C312  C310  *C311 H11X   1.5396  113.52 -123.43  110.53   1.1101
IC C312  C310  *C311 H11Y   1.5192  121.35  123.34  106.97   1.1128
IC C310  C311  C312  C313   1.5353  112.28  180.00  113.98   1.5367
IC C313  C311  *C312 H12X   1.5396  113.52 -123.43  110.53   1.1101
IC C313  C311  *C312 H12Y   1.5192  121.35  123.34  106.97   1.1128
IC C311  C312  C313  C314   1.5347  113.98  180.00  113.72   1.5377
IC C314  C312  *C313 H13X   1.5396  113.52 -123.43  110.53   1.1101
IC C314  C312  *C313 H13Y   1.5192  121.35  123.34  106.97   1.1128
IC C312  C313  C314  C315   1.5367  113.72  180.00  113.85   1.5357
IC C315  C313  *C314 H14X   1.5396  113.52 -123.43  110.53   1.1101
IC C315  C313  *C314 H14Y   1.5192  121.35  123.34  106.97   1.1128
IC C313  C314  C315  C316   1.5377  113.85  180.00  111.81   1.5374
IC C316  C314  *C315 H15X   1.5396  113.52 -123.43  110.53   1.1101
IC C316  C314  *C315 H15Y   1.5192  121.35  123.34  106.97   1.1128
IC C314  C315  C316  C317   1.5357  111.81  180.00  114.29   1.5985
IC C317  C315  *C316 H16X   1.5396  113.52 -123.43  110.53   1.1101
IC C317  C315  *C316 H16Y   1.5192  121.35  123.34  106.97   1.1128
IC C315  C316  C317  C318   1.5374  114.29  180.00  130.92   1.5745
IC C318  C316  *C317 H17X   1.5396  113.52 -123.43  110.53   1.1101
IC C318  C316  *C317 H17Y   1.5192  121.35  123.34  106.97   1.1128
IC C316  C317  C318  H18X   1.5985  130.92  180.00  110.90   1.1113
IC H18X  C317  *C318 H18Y   1.5396  113.52 -123.43  110.53   1.1101
IC H18X  C317  *C318 H18Z   1.5192  121.35  123.34  106.97   1.1128

RESI DAPC         0.00 ! 2,3-diarachidonyl-D-glycero-1-phosphatidylcholine (20:4 20:4 PC)
!
!         R1 - CH2        
!              |  
!         R2 - CH
!              |     (-)              (+)
!              CH2 - PO4 - CH2 - CH2 - N-(CH3)3
!
! Polar Head and glycerol backbone
!
GROUP                  !               H15B
ATOM N    NTL    -0.60 !                 |
ATOM C12  CTL2   -0.10 !           H15A-C15-H15C
ATOM H12A HL      0.25 !                 |
ATOM H12B HL      0.25 !         H13B    |    H14A
ATOM C13  CTL5   -0.35 !           |     |     |
ATOM H13A HL      0.25 !     H13A-C13----N----C14-H14B     (+)
ATOM H13B HL      0.25 !           |     |     |
ATOM H13C HL      0.25 !         H13C    |    H14C
ATOM C14  CTL5   -0.35 !                 |
ATOM H14A HL      0.25 !                 |
ATOM H14B HL      0.25 !                 |    alpha6
ATOM H14C HL      0.25 !                 |
ATOM C15  CTL5   -0.35 !                 |
ATOM H15A HL      0.25 !          H12A--C12---H12B
ATOM H15B HL      0.25 !                 |
ATOM H15C HL      0.25 !                 |
GROUP                  !                 |     alpha5
ATOM C11  CTL2   -0.08 !                 |
ATOM H11A HAL2    0.09 !          H11A--C11---H11B
ATOM H11B HAL2    0.09 !                 |     alpha4
ATOM P    PL      1.50 !        (-) O13  O12
ATOM O13  O2L    -0.78 !              \ /      alpha3
ATOM O14  O2L    -0.78 !               P (+)
ATOM O12  OSLP   -0.57 !              / \      alpha2
ATOM O11  OSLP   -0.57 !        (-) O14  O11
ATOM C1   CTL2   -0.08 !                 |     alpha1
ATOM HA   HAL2    0.09 !            HA---C1---HB
ATOM HB   HAL2    0.09 !                 |     theta1
GROUP                  !                 |
ATOM C2   CTL1    0.17 !            HS---C2--------------
ATOM HS   HAL1    0.09 !                 | beta1        |
ATOM O21  OSL    -0.49 !            O22  O21          theta3
ATOM C21  CL      0.90 !             \\ /  beta2        |
ATOM O22  OBL    -0.63 !               C21              |
ATOM C22  CTL2   -0.22 !               |   beta3        |
ATOM H2R  HAL2    0.09 !        H2R---C22---H2S         |
ATOM H2S  HAL2    0.09 !               |                |
GROUP                  !               |    beta4       |
ATOM C3   CTL2    0.08 !               |                |
ATOM HX   HAL2    0.09 !               |           HX---C3---HY
ATOM HY   HAL2    0.09 !               |                |   gamma1
ATOM O31  OSL    -0.49 !               |           O32  O31
ATOM C31  CL      0.90 !               |            \\ /    gamma2
ATOM O32  OBL    -0.63 !               |              C31
ATOM C32  CTL2   -0.22 !               |              |     gamma3
ATOM H2X  HAL2    0.09 !               |        H2X---C32---H2Y
ATOM H2Y  HAL2    0.09 !               |              |
GROUP                  !               |              |      gamma4
ATOM C23  CTL2   -0.18 !               |              !
ATOM H3R  HAL2    0.09 !         H3R---C23---H3S      !
ATOM H3S  HAL2    0.09 !               |              !
GROUP                  !               |              !
ATOM C24  CTL2   -0.18 !               |              !
ATOM H4R  HAL2    0.09 !         H4R---C24---H4S      !
ATOM H4S  HAL2    0.09 !               |              !
GROUP                  !               |              !
ATOM C25  CEL1   -0.15 !               |              !
ATOM H5R  HEL1    0.15 !         H5R---C25            !
GROUP                  !               ||             !
ATOM C26  CEL1   -0.15 !               ||             !
ATOM H6R  HEL1    0.15 !         H6R---C26            !
GROUP                  !               |              !
ATOM C27  CTL2   -0.18 !               |              !
ATOM H7R  HAL2    0.09 !         H7R---C27--H7S       !
ATOM H7S  HAL2    0.09 !               |              !
GROUP                  !               |              !
ATOM C28  CEL1   -0.15 !               |              !
ATOM H8R  HEL1    0.15 !         H8R---C28            !
GROUP                  !               ||             !
ATOM C29  CEL1   -0.15 !               ||             !
ATOM H9R  HEL1    0.15 !         H9R---C29            !
GROUP                  !               |              !
ATOM C210 CTL2   -0.18 !               |              !
ATOM H10R HAL2    0.09 !               |              !
ATOM H10S HAL2    0.09 !       H10R---C210--H10S      !
GROUP                  !               |              !
ATOM C211 CEL1   -0.15 !               |              !
ATOM H11R HEL1    0.15 !       H11R---C211            !
GROUP                  !               ||             !
ATOM C212 CEL1   -0.15 !               ||             !
ATOM H12R HEL1    0.15 !       H12R---C212            !
GROUP                  !               |              !
ATOM C213 CTL2   -0.18 !               |              !
ATOM H13R HAL2    0.09 !       H13R---C213---H13S     !
ATOM H13S HAL2    0.09 !               |              !
GROUP                  !               |              !
ATOM C214 CEL1   -0.15 !               |              !
ATOM H14R HEL1    0.15 !       H14R---C214            !
GROUP                  !               ||             !
ATOM C215 CEL1   -0.15 !               ||             !
ATOM H15R HEL1    0.15 !       H15R---C215            !
GROUP                  !               |              !
ATOM C216 CTL2   -0.18 !               |              !
ATOM H16R HAL2    0.09 !       H16R---C216--H16S      !
ATOM H16S HAL2    0.09 !               |              !
GROUP                  !               |              !
ATOM C217 CTL2   -0.18 !               |              !
ATOM H17R HAL2    0.09 !       H17R---C217--H17S      !
ATOM H17S HAL2    0.09 !               |              !
GROUP                  !               |              !
ATOM C218 CTL2   -0.18 !               |              !
ATOM H18R HAL2    0.09 !       H18R---C218--H18S      !
ATOM H18S HAL2    0.09 !               |              !
GROUP                  !               |              !
ATOM C219 CTL2   -0.18 !               |              !
ATOM H19R HAL2    0.09 !       H19R---C219--H19S      !
ATOM H19S HAL2    0.09 !               |              !
GROUP                  !               |              !
ATOM C220 CTL3   -0.27 !               |              !
ATOM H20R HAL3    0.09 !       H20R---C220--H20S      !
ATOM H20S HAL3    0.09 !               |              !
ATOM H20T HAL3    0.09 !              H20T            !
GROUP                  !                              |
ATOM C33  CTL2   -0.18 !                              |             
ATOM H3X  HAL2    0.09 !                        H3X---C33---H3Y     
ATOM H3Y  HAL2    0.09 !                              |             
GROUP                  !                              |             
ATOM C34  CTL2   -0.18 !                              |             
ATOM H4X  HAL2    0.09 !                        H4X---C34---H4Y     
ATOM H4Y  HAL2    0.09 !                              |             
GROUP                  !                              |             
ATOM C35  CEL1   -0.15 !                              |             
ATOM H5X  HEL1    0.15 !                        H5X---C35           
GROUP                  !                              ||            
ATOM C36  CEL1   -0.15 !                              ||            
ATOM H6X  HEL1    0.15 !                        H6X---C36           
GROUP                  !                              |             
ATOM C37  CTL2   -0.18 !                              |             
ATOM H7X  HAL2    0.09 !                        H7X---C37---H7Y     
ATOM H7Y  HAL2    0.09 !                              |             
GROUP                  !                              |             
ATOM C38  CEL1   -0.15 !                              |             
ATOM H8X  HEL1    0.15 !                        H8X---C38           
GROUP                  !                              ||            
ATOM C39  CEL1   -0.15 !                              ||            
ATOM H9X  HEL1    0.15 !                        H9X---C39           
GROUP                  !                              |             
ATOM C310 CTL2   -0.18 !                              |             
ATOM H10X HAL2    0.09 !                              |             
ATOM H10Y HAL2    0.09 !                       H10X---C310--H10Y    
GROUP                  !                              |             
ATOM C311 CEL1   -0.15 !                              |             
ATOM H11X HEL1    0.15 !                       H11X---C311          
GROUP                  !                              ||            
ATOM C312 CEL1   -0.15 !                              ||            
ATOM H12X HEL1    0.15 !                       H12X---C312          
GROUP                  !                              |             
ATOM C313 CTL2   -0.18 !                              |             
ATOM H13X HAL2    0.09 !                       H13X---C313---H13Y   
ATOM H13Y HAL2    0.09 !                              |             
GROUP                  !                              |             
ATOM C314 CEL1   -0.15 !                              |             
ATOM H14X HEL1    0.15 !                       H14X---C314          
GROUP                  !                              ||            
ATOM C315 CEL1   -0.15 !                              ||            
ATOM H15X HEL1    0.15 !                       H15X---C315          
GROUP                  !                              |             
ATOM C316 CTL2   -0.18 !                              |             
ATOM H16X HAL2    0.09 !                       H16X---C316---H16Y   
ATOM H16Y HAL2    0.09 !                              |             
GROUP                  !                              |             
ATOM C317 CTL2   -0.18 !                              |             
ATOM H17X HAL2    0.09 !                       H17X---C317--H17Y    
ATOM H17Y HAL2    0.09 !                              |             
GROUP                  !                              |             
ATOM C318 CTL2   -0.18 !                              |             
ATOM H18X HAL2    0.09 !                       H18X---C318--H18Y    
ATOM H18Y HAL2    0.09 !                              |             
GROUP                  !                              |             
ATOM C319 CTL2   -0.18 !                              |             
ATOM H19X HAL2    0.09 !                       H19X---C319--H19Y    
ATOM H19Y HAL2    0.09 !                              |             
GROUP                  !                              |             
ATOM C320 CTL3   -0.27 !                              |             
ATOM H20X HAL3    0.09 !                       H20X---C320--H20Y    
ATOM H20Y HAL3    0.09 !                              |             
ATOM H20Z HAL3    0.09 !                              H20Z          
! Polar Head
BOND  N    C13       N    C14       N    C15
BOND  C13  H13A      C13  H13B      C13  H13C
BOND  C14  H14A      C14  H14B      C14  H14C
BOND  C15  H15A      C15  H15B      C15  H15C
BOND  N    C12
BOND  C12  H12A      C12  H12B      C12  C11
BOND  C11  H11A      C11  H11B      C11  O12       O11  C1
BOND  O12  P         P    O11       P    O13       P    O14
! Glycerol Backbone
BOND  C1   HA        C1    HB       C1   C2
BOND  C2   HS        C2    C3       C2   O21
BOND  C3   HX        C3    HY       C3   O31
! Chain from C2
BOND  C21  O21    C21  C22
DOUBLE C21  O22
BOND  C22  C23    C22  H2R     C22  H2S
BOND  C23  C24    C23  H3R     C23  H3S
BOND  C24  C25    C24  H4R     C24  H4S
DOUBLE C25  C26
BOND  C25  H5R
BOND  C26  C27    C26  H6R
BOND  C27  C28    C27  H7R     C27  H7S
DOUBLE C28  C29
BOND  C28  H8R
BOND  C29  C210   C29  H9R
BOND  C210 C211   C210 H10R    C210 H10S
DOUBLE C211 C212
BOND  C211 H11R
BOND  C212 C213   C212 H12R
BOND  C213 C214   C213 H13R    C213 H13S
DOUBLE C214 C215
BOND  C214 H14R
BOND  C215 C216   C215 H15R
BOND  C216 C217   C216 H16R    C216 H16S
BOND  C217 C218   C217 H17R    C217 H17S
BOND  C218 C219   C218 H18R    C218 H18S
BOND  C219 C220   C219 H19R    C219 H19S
BOND  C220 H20T   C220 H20R    C220 H20S
! Chain From C3
BOND  C31  O31    C31  C32
DOUBLE C31 O32
BOND  C32  C33    C32  H2X     C32  H2Y
BOND  C33  C34    C33  H3X     C33  H3Y
BOND  C34  C35    C34  H4X     C34  H4Y
DOUBLE C35 C36
BOND  C35  H5X
BOND  C36  C37    C36  H6X
BOND  C37  C38    C37  H7X     C37  H7Y
DOUBLE C38 C39
BOND  C38  H8X
BOND  C39  C310   C39  H9X
BOND  C310 C311   C310 H10X    C310 H10Y
DOUBLE C311 C312
BOND  C311 H11X
BOND  C312 C313   C312 H12X
BOND  C313 C314   C313 H13X    C313 H13Y
DOUBLE C314 C315
BOND  C314 H14X
BOND  C315 C316   C315 H15X
BOND  C316 C317   C316 H16X    C316 H16Y
BOND  C317 C318   C317 H17X    C317 H17Y
BOND  C318 C319   C318 H18X    C318 H18Y
BOND  C319 C320   C319 H19X    C319 H19Y
BOND  C320 H20Z   C320 H20X    C320 H20Y
IMPR C21 O21 C22 O22    C31 O31 C32 O32
!IC table from IC generate, geometry is guessed
IC C13   N     C12   C11    1.5005  109.34  -51.82  118.22   1.5547
IC C13   C12   *N    C14    1.5005  109.34 -118.51  109.64   1.4974
IC C13   C12   *N    C15    1.5005  109.34  119.15  110.24   1.4962
IC C11   N     *C12  H12A   1.5547  118.22 -125.67  110.33   1.0793
IC H12A  N     *C12  H12B   1.0793  110.33 -115.76  109.23   1.0957
IC C14   N     C13   H13A   1.4974  108.23   61.00  111.38   1.0960
IC H13A  N     *C13  H13B   1.0960  111.38 -124.27  114.13   1.0734
IC H13A  N     *C13  H13C   1.0960  111.38  111.83  109.59   1.0927
IC C13   N     C14   H14A   1.5005  108.23 -179.66  111.63   1.0810
IC H14A  N     *C14  H14B   1.0810  111.63 -121.80  110.90   1.0819
IC H14A  N     *C14  H14C   1.0810  111.63  119.75  109.60   1.0881
IC C13   N     C15   H15A   1.5005  108.46 -179.84  111.45   1.0808
IC H15A  N     *C15  H15B   1.0808  111.45 -119.41  109.20   1.0866
IC H15A  N     *C15  H15C   1.0808  111.45  121.80  110.97   1.0815
IC N     C12   C11   O12    1.5273  118.22   69.62  111.90   1.4262
IC O12   C12   *C11  H11A   1.4262  111.90 -121.72  110.21   1.1107
IC H11A  C12   *C11  H11B   1.1107  110.21 -116.97  108.97   1.1164
IC C12   C11   O12   P      1.5547  111.90   56.58  119.25   1.5954
IC C11   O12   P     O11    1.4262  119.25  125.38  103.46   1.5769
IC O11   O12   *P    O13    1.5769  103.46 -117.59  108.11   1.4797
IC O11   O12   *P    O14    1.5769  103.46  116.77  106.20   1.4775
IC O12   P     O11   C1     1.5954  103.46   33.43  121.47   1.4291
IC P     O11   C1    C2     1.5769  121.47  146.27  110.07   1.5526
IC C2    O11   *C1   HA     1.5526  110.07 -121.29  113.08   1.1166
IC HA    O11   *C1   HB     1.1166  113.08 -120.24  108.73   1.1132
IC O11   C1    C2    C3     1.4291  110.07   37.91  111.11   1.5544
IC C3    C1    *C2   O21    1.5544  111.11  119.78  110.70   1.4395
IC C3    C1    *C2   HS     1.5544  111.11 -117.46  108.81   1.1157
IC C1    C2    O21   C21    1.5526  110.70   72.82  115.87   1.3174
IC C2    O21   C21   C22    1.4395  115.87  179.18  109.41   1.5329
IC C22   O21   *C21  O22    1.5329  109.41 -178.52  126.45   1.2180
IC O21   C21   C22   C23    1.3174  109.41  180.00  113.78   1.5483
IC C23   C21   *C22  H2R    1.5483  113.78 -121.17  107.02   1.1096
IC C23   C21   *C22  H2S    1.5483  113.78  122.25  107.54   1.1088
IC C1    C2    C3    O31    1.5526  111.11  179.84  110.78   1.4471
IC O31   C2    *C3   HX     1.4471  110.78 -122.23  106.07   1.1170
IC HX    C2    *C3   HY     1.1170  106.07 -116.50  109.11   1.1127
IC C2    C3    O31   C31    1.5544  110.78 -158.57  113.91   1.3265
IC C3    O31   C31   C32    1.4471  113.91  178.20  108.97   1.5287
IC C32   O31   *C31  O32    1.5287  108.97  178.94  125.84   1.2167
IC O31   C31   C32   C33    1.3265  108.97  180.00  111.97   1.5453
IC C33   C31   *C32  H2X    1.5453  111.97 -120.94  107.50   1.1090
IC C33   C31   *C32  H2Y    1.5453  111.97  121.71  108.29   1.1085
IC C21   C22   C23   C24    1.5329  113.78  180.00  112.27   1.5435
IC C24   C22   *C23  H3R    1.5435  112.27 -122.24  109.63   1.1133
IC C24   C22   *C23  H3S    1.5435  112.27  120.06  108.89   1.1154
IC C22   C23   C24   C25    1.5483  112.27  180.00  115.67   1.5107
IC C25   C23   *C24  H4R    1.5107  115.67 -121.06  107.11   1.1144
IC C25   C23   *C24  H4S    1.5107  115.67  124.06  108.43   1.1128
IC C23   C24   C25   C26    1.5435  115.67  180.00  125.97   1.3453
IC C26   C24   *C25  H5R    1.3453  125.97 -176.85  115.39   1.1011
IC C24   C25   C26   C27    1.5107  125.97    0.00  125.28   1.5097 !cis db
IC C27   C25   *C26  H6R    1.5097  125.28  178.19  119.65   1.1004
IC C25   C26   C27   C28    1.3453  125.28  180.00  121.35   1.5192
IC C28   C26   *C27  H7R    1.5192  121.35 -124.15  108.68   1.1135
IC C28   C26   *C27  H7S    1.5192  121.35  123.34  106.97   1.1121
IC C26   C27   C28   C29    1.5097  121.35  180.00  132.80   1.3549
IC C29   C27   *C28  H8R    1.3549  132.80 -178.43  111.35   1.1010
IC C27   C28   C29   C210   1.5192  132.80    0.00  130.38   1.5115 !cis db
IC C210  C28   *C29  H9R    1.5115  130.38  178.53  117.07   1.1014
IC C28   C29   C210  C211   1.3549  130.38  180.00  111.80   1.5083
IC C211  C29   *C210 H10R   1.5192  121.35 -124.15  108.68   1.1135
IC C211  C29   *C210 H10S   1.5192  121.35  123.34  106.97   1.1128
IC C29   C210  C211  C212   1.5115  111.80  180.00  124.32   1.3436
IC C212  C210  *C211 H11R   1.3453  125.97 -176.85  115.39   1.1011
IC C210  C211  C212  C213   1.5083  124.32    0.00  125.45   1.5067 !cis db
IC C213  C211  *C212 H12R   1.5097  125.28  178.19  119.65   1.1004
IC C211  C212  C213  C214   1.3436  125.45  180.00  111.57   1.5090
IC C214  C212  *C213 H13R   1.5192  121.35 -124.15  108.68   1.1135
IC C214  C212  *C213 H13S   1.5192  121.35  123.34  106.97   1.1128
IC C212  C213  C214  C215   1.5067  111.57  180.00  126.10   1.3471
IC C215  C213  *C214 H14R   1.3453  125.97 -176.85  115.39   1.1011
IC C213  C214  C215  C216   1.5090  126.10    0.00  125.86   1.5091 !cis db
IC C216  C214  *C215 H15R   1.5097  125.28  178.19  119.65   1.1004
IC C214  C215  C216  C217   1.3471  125.86  180.00  113.25   1.5428
IC C217  C215  *C216 H16R   1.5192  121.35 -124.15  108.68   1.1135
IC C217  C215  *C216 H16S   1.5192  121.35  123.34  106.97   1.1128
IC C215  C216  C217  C218   1.5091  113.25  180.00  115.19   1.5395
IC C218  C216  *C217 H17R   1.5192  121.35 -124.15  108.68   1.1135
IC C218  C216  *C217 H17S   1.5192  121.35  123.34  106.97   1.1128
IC C216  C217  C218  C219   1.5428  115.19  180.00  113.95   1.5345
IC C219  C217  *C218 H18R   1.5192  121.35 -124.15  108.68   1.1135
IC C219  C217  *C218 H18S   1.5192  121.35  123.34  106.97   1.1128
IC C217  C218  C219  C220   1.5395  113.95  180.00  112.95   1.5309
IC C220  C218  *C219 H19R   1.5192  121.35 -124.15  108.68   1.1135
IC C220  C218  *C219 H19S   1.5192  121.35  123.34  106.97   1.1128
IC C218  C219  C220  H20T   1.5345  112.95  180.00  110.39   1.1115
IC H20T  C219  *C220 H20R   1.5192  121.35 -124.15  108.68   1.1135
IC H20T  C219  *C220 H20S   1.5192  121.35  123.34  106.97   1.1128
IC C31   C32   C33   C34    1.5287  111.97  180.00  112.58   1.5385
IC C34   C32   *C33  H3X    1.5385  112.58 -122.10  109.10   1.1140
IC C34   C32   *C33  H3Y    1.5385  112.58  121.05  109.26   1.1142
IC C32   C33   C34   C35    1.5453  112.58  180.00  110.80   1.5074
IC C35   C33   *C34  H4X    1.5074  110.80 -121.89  108.15   1.1141
IC C35   C33   *C34  H4Y    1.5074  110.80  121.81  109.29   1.1125
IC C33   C34   C35   C36    1.5385  110.80  180.00  124.10   1.3433
IC C36   C34   *C35  H5X    1.3433  124.10  174.75  116.37   1.1008
IC C34   C35   C36   C37    1.5074  124.10    0.00  125.00   1.5143 !cis db
IC C37   C35   *C36  H6X    1.5143  125.00 -174.44  119.05   1.1017
IC C35   C36   C37   C38    1.3433  125.00  180.00  117.59   1.5177
IC C38   C36   *C37  H7X    1.5177  117.59 -122.41  107.65   1.1123
IC C38   C36   *C37  H7Y    1.5177  117.59  123.72  109.79   1.1133
IC C36   C37   C38   C39    1.5143  117.59  180.00  126.89   1.3482
IC C39   C37   *C38  H8X    1.3482  126.89  179.60  114.90   1.1010
IC C37   C38   C39   C310   1.5177  126.89    0.00  126.25   1.5108 !cis db
IC C310  C38   *C39  H9X    1.5108  126.25 -179.63  118.76   1.1018
IC C38   C39   C310  C311   1.3482  126.25  180.00  114.73   1.5131
IC C311  C39   *C310 H10X   1.5177  117.59 -122.41  107.65   1.1123
IC C311  C39   *C310 H10Y   1.5177  117.59  123.72  109.79   1.1133
IC C39   C310  C311  C312   1.5108  114.73  180.00  127.49   1.3509
IC C312  C310  *C311 H11X   1.3482  126.89  179.60  114.90   1.1010
IC C310  C311  C312  C313   1.5131  127.49    0.00  126.92   1.5159 !cis db
IC C313  C311  *C312 H12X   1.5108  126.25 -179.63  118.76   1.1018
IC C311  C312  C313  C314   1.3509  126.92  180.00  118.29   1.5170
IC C314  C312  *C313 H13X   1.5177  117.59 -122.41  107.65   1.1123
IC C314  C312  *C313 H13Y   1.5177  117.59  123.72  109.79   1.1133
IC C312  C313  C314  C315   1.5159  118.29  180.00  127.41   1.3481
IC C315  C313  *C314 H14X   1.3509  126.92  180.00  118.29   1.5170
IC C313  C314  C315  C316   1.5170  127.41    0.00  125.25   1.5075 !cis db
IC C316  C314  *C315 H15X   1.5108  126.25 -179.63  118.76   1.1018
IC C314  C315  C316  C317   1.3481  125.25  180.00  113.42   1.5450
IC C317  C315  *C316 H16X   1.5177  117.59 -122.41  107.65   1.1123
IC C317  C315  *C316 H16Y   1.5177  117.59  123.72  109.79   1.1133
IC C315  C316  C317  C318   1.5075  113.42  180.00  116.08   1.5437
IC C318  C316  *C317 H17X   1.5177  117.59 -122.41  107.65   1.1123
IC C318  C316  *C317 H17Y   1.5177  117.59  123.72  109.79   1.1133
IC C316  C317  C318  C319   1.5450  116.08  180.00  116.10   1.6007
IC C319  C317  *C318 H18X   1.5177  117.59 -122.41  107.65   1.1123
IC C319  C317  *C318 H18Y   1.5177  117.59  123.72  109.79   1.1133
IC C317  C318  C319  C320   1.5437  116.10  180.00  132.00   1.5738
IC C320  C318  *C319 H19X   1.5177  117.59 -122.41  107.65   1.1123
IC C320  C318  *C319 H19Y   1.5177  117.59  123.72  109.79   1.1133
IC C318  C319  C320  H20Z   1.6007  132.00 -119.54  110.70   1.1112
IC H20Z  C319  *C320 H20X   1.5177  117.59 -122.41  107.65   1.1123
IC H20Z  C319  *C320 H20Y   1.5177  117.59  123.72  109.79   1.1133

END
